National Library of Energy BETA

Sample records for volt ampere reactive

  1. 8/15 Ampere 1/12 THE INTEGRAL FORM OF AMPERE'S LAW

    E-Print Network [OSTI]

    Gustafsson, Torgny

    8/15 Ampere 1/12 THE INTEGRAL FORM OF AMPERE'S LAW PURPOSE: To verify Ampere's Law for the magnetic for the vacuum, o 4 7 10 T.m.A -1 . The total magnetic field at P is found by integrating Eq. (1) along. (1) into Eq. (2) and integrating shows that the magnitude of the magnetic field at a perpendicular

  2. Bonneville Power Ampere Annex Z-995 Building

    High Performance Buildings Database

    Vancouver, WA The Bonneville Power Administration (BPA), a federal agency headquartered in Portland, Oregon, provides about half of the electricity used in the Pacific Northwest and operates more than three-fourths of the region's high-voltage transmission. Because BPA markets power at cost from 31 federal dams, its rates are among the least expensive electricity in the country. The Ampere Annex project is a renovation of an exisiting 60-year-old standard warehouse building located within the Ross Complex.

  3. A Tariff for Reactive Power

    SciTech Connect (OSTI)

    Kueck, John D; Kirby, Brendan J; Li, Fangxing; Tufon, Christopher; Isemonger, Alan

    2008-07-01

    Two kinds of power are required to operate an electric power system: real power, measured in watts, and reactive power, measured in volt-amperes reactive or VARs. Reactive power supply is one of a class of power system reliability services collectively known as ancillary services, and is essential for the reliable operation of the bulk power system. Reactive power flows when current leads or lags behind voltage. Typically, the current in a distribution system lags behind voltage because of inductive loads such as motors. Reactive power flow wastes energy and capacity and causes voltage droop. To correct lagging power flow, leading reactive power (current leading voltage) is supplied to bring the current into phase with voltage. When the current is in phase with voltage, there is a reduction in system losses, an increase in system capacity, and a rise in voltage. Reactive power can be supplied from either static or dynamic VAR sources. Static sources are typically transmission and distribution equipment, such as capacitors at substations, and their cost has historically been included in the revenue requirement of the transmission operator (TO), and recovered through cost-of-service rates. By contrast, dynamic sources are typically generators capable of producing variable levels of reactive power by automatically controlling the generator to regulate voltage. Transmission system devices such as synchronous condensers can also provide dynamic reactive power. A class of solid state devices (called flexible AC transmission system devices or FACTs) can provide dynamic reactive power. One specific device has the unfortunate name of static VAR compensator (SVC), where 'static' refers to the solid state nature of the device (it does not include rotating equipment) and not to the production of static reactive power. Dynamic sources at the distribution level, while more costly would be very useful in helping to regulate local voltage. Local voltage regulation would reduce system losses, increase circuit capacity, increase reliability, and improve efficiency. Reactive power is theoretically available from any inverter-based equipment such as photovoltaic (PV) systems, fuel cells, microturbines, and adjustable-speed drives. However, the installation is usually only economical if reactive power supply is considered during the design and construction phase. In this report, we find that if the inverters of PV systems or the generators of combined heat and power (CHP) systems were designed with capability to supply dynamic reactive power, they could do this quite economically. In fact, on an annualized basis, these inverters and generators may be able to supply dynamic reactive power for about $5 or $6 per kVAR. The savings from the local supply of dynamic reactive power would be in reduced losses, increased capacity, and decreased transmission congestion. The net savings are estimated to be about $7 per kVAR on an annualized basis for a hypothetical circuit. Thus the distribution company could economically purchase a dynamic reactive power service from customers for perhaps $6/kVAR. This practice would provide for better voltage regulation in the distribution system and would provide an alternate revenue source to help amortize the cost of PV and CHP installations. As distribution and transmission systems are operated under rising levels of stress, the value of local dynamic reactive supply is expected to grow. Also, large power inverters, in the range of 500 kW to 1 MW, are expected to decrease in cost as they become mass produced. This report provides one data point which shows that the local supply of dynamic reactive power is marginally profitable at present for a hypothetical circuit. We expect that the trends of growing power flow on the existing system and mass production of inverters for distributed energy devices will make the dynamic supply of reactive power from customers an integral component of economical and reliable system operation in the future.

  4. Steady State Load Characterization Fact Sheet: 2012 Chevy Volt

    SciTech Connect (OSTI)

    Don Scoffield

    2015-01-01

    This fact sheet characterizes the steady state charging behavior of a 2012 Chevy Volt. Both level 1 charging (120 volt) and level 2 charging (208 volts) is investigated. This fact sheet contains plots of efficiency, power factor, and current harmonics as vehicle charging is curtailed. Prominent current harmonics are also displayed in a histogram for various charge rates.

  5. AVTA: 2011 Chevrolet Volt Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a Chevrolet Volt 2011. The baseline performance testing provides a point of comparison for the other test results. Taken together, these reports give an overall view of how this vehicle functions under extensive testing. This research was conducted by Idaho National Laboratory.

  6. GreenVolts Inc | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsource History View New Pages RecentPlantMagmaIncentivesEnergyGreenVolts Inc Jump to:

  7. GreenVolts | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsource History View New Pages RecentPlantMagmaIncentivesEnergyGreenVolts Inc Jump

  8. Jerby & Dikhtyar, 8 Ampere Proc., Bayreuth, Sept. 2001

    E-Print Network [OSTI]

    Jerby, Eli

    energy (US patent 6,114,676). The Microwave Drill implementation may utilize a conventional 2.45GHzJerby & Dikhtyar, 8 th Ampere Proc., Bayreuth, Sept. 2001 1 Drilling into Hard Non The paper describes a novel method of drilling into hard non-conductive materials by localized microwave

  9. AVTA: 2013 Chevrolet Volt Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2013 Chevrolet Volt. Baseline and battery testing data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). The reports for download here are based on research done at Idaho National Laboratory. Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  10. THE JLAB AMPERE-CLASS CRYOMODULE CONCEPTUAL DESIGN

    SciTech Connect (OSTI)

    Robert Rimmer; Edward Daly; William Hicks; James Henry; Joseph Preble; Mircea Stirbet; Haipeng Wang; Katherine Wilson; Genfa Wu; Gianluigi Ciovati; Thomas Elliott; Peter Kneisel; Stephen Manning; Robert Manus; Karl Smith; Lynn Vogel; Larry Turlington

    2006-06-26

    For the next generation of compact high-power FELs a new cryomodule is required that is capable of accelerating up to Ampere levels of beam current. Challenges include strong HOM damping, high HOM power and high fundamental-mode power (in operating scenarios without full energy recovery). For efficient use of space a high real-estate gradient is desirable and for economic operation good fundamental-mode efficiency is important. The technology must also be robust and should be based on well-proven and reliable technologies. For Ampere-class levels of beam current both halo interception and beam break-up (BBU) are important considerations. These factors tend to drive the designs to lower frequencies where the apertures are larger and the transverse impedances are lower. To achieve these goals we propose to use a compact waveguide-damped multi-cell cavity packaged in an SNS-style cryomodule.

  11. Chevy Volt Electrifies DOE Headquarters | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    million Recovery Act award to Compact Power will support the production of lithium-ion polymer battery cells for the Volt. The technology in these battery cells was actually...

  12. A Method for Evaluating Volt-VAR Optimization Field Demonstrations

    SciTech Connect (OSTI)

    Schneider, Kevin P.; Weaver, T. F.

    2014-08-31

    In a regulated business environment a utility must be able to validate that deployed technologies provide quantifiable benefits to the end-use customers. For traditional technologies there are well established procedures for determining what benefits will be derived from the deployment. But for many emerging technologies procedures for determining benefits are less clear and completely absent in some cases. Volt-VAR Optimization is a technology that is being deployed across the nation, but there are still numerous discussions about potential benefits and how they are achieved. This paper will present a method for the evaluation, and quantification of benefits, for field deployments of Volt-VAR Optimization technologies. In addition to the basic methodology, the paper will present a summary of results, and observations, from two separate Volt-VAR Optimization field evaluations using the proposed method.

  13. Capacitor-Less VAR Compensator Based on a Matrix Converter 

    E-Print Network [OSTI]

    Balakrishnan, Divya Rathna

    2012-02-14

    Reactive power, denoted as volt-ampere reactive (VARs), is fundamental to ac power systems and is due to the complex impedance of the loads and transmission lines. It has several undesirable consequences which include increased transmission loss...

  14. Measurements of the volt-ampere characteristics and the breakdown voltages of direct-current helium and hydrogen discharges in microgaps

    SciTech Connect (OSTI)

    Klas, M.; Matej?ik, Š.; Radjenovi?, B.; Radmilovi?-Radjenovi?, M.

    2014-10-15

    The discharge phenomena for micro meter gap sizes include many interesting problems from engineering and physical perspectives. In this paper, the authors deal with the experimental and theoretical results of the breakdown voltage and current-voltage characteristics of the direct-current helium and hydrogen discharges. The measurements were performed at a constant pressure of around one atmosphere, while varying the gap size between two parallel plane tungsten electrodes between 1??m and 100??m. From the measured breakdown voltage curves, the effective yields and the ionization coefficients were derived for both gases. Present data for the ionization coefficients correlate with the data obtained for the breakdown voltage curves measured for fixed 100??m interelectrode separation. The current-voltage characteristics were plotted for the various gap sizes illustrating the role of the field emission effects in the microgaps. Based on the Fowler-Nordheim theory, the enhancement factors were determined. The gap spacing dependence of the field emission current can be explained by the introduction of two ideas, the first being a space charge effect by emitted electrons, and the second a change in the breakdown mechanism. Experimental results, presented here, demonstrate that Townsend phenomenology breaks down when field emission becomes the key mechanism affecting the breakdown and deforming the left hand side of the breakdown voltage curves.

  15. AVTA: Chevrolet Volt ARRA Vehicle Demonstration Project Data

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following reports summarize data collected from a project General Motors conducted to deploy 150 2011 Chevrolet Volts around the country. This research was conducted by Idaho National Laboratory.

  16. CyVolt Energy Systems | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX ECoopButtePower VenturesInformation9) Wind Farm JumpAlum| OpenInformationCyVolt

  17. EST-CE QU'ON VOlT ATRAVERS UN MICROSCOPE? '

    E-Print Network [OSTI]

    Aubin, David

    'aimable autonsatJon de1auteur etde Blackwell Publishing. EST-CE QU'ON VOlT ATRAVERS UN MICROSCOPE? 239 Les

  18. AVTA: ARRA EV Project Chevrolet Volt Data Summary Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The American Recovery and Reinvestment Act supported a number of projects that together made up the largest ever deployment of plug-in electric vehicles and charging infrastructure in the U.S. The following reports provide summary overviews of the 2,600 plug-in hybrid electric Chevrolet Volts deployed through the EV Project. It also deployed about 14,000 Level 2 PEV chargers and 300 DC fast chargers. Background data on how this data was collected is in the EV Project: About the Reports. This research was conducted by Idaho National Laboratory.

  19. What kind of charging infrastructure do Chevrolet Volts Drivers in The EV Project use?

    SciTech Connect (OSTI)

    John Smart

    2013-09-01

    This report summarizes key conclusions from analysis of data collected from Chevrolet Volts participating in The EV Project. Topics include how much Volt drivers charge at level 1 vs. level 2 rates and how much they charge at home vs. away from home.

  20. Ampere's Law and Energy Loss in AdS/CFT Duality

    E-Print Network [OSTI]

    Sang-Jin Sin; Ismail Zahed

    2006-08-09

    We note that the energy loss in ${\\cal N}=4$ SYM measures directly the spatial string tension $\\sigma_S=\\pi\\sqrt{\\lambda}T^2/2$ which is at the origin of the area law for large spatial Wilson loops. We show that the latter reflects on the nonperturbative nature of Ampere's law in ${\\cal N}=4$ SYM both in vacuum and at finite temperature.

  1. Vehicle Technologies Office Merit Review 2015: 12 Volt Auxiliary Load On-road Analysis

    Broader source: Energy.gov [DOE]

    Presentation given by Idaho National Laboratory at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about 12 volt auxiliary...

  2. Advanced Vehicle Testing Activity Benchmark Testing of the Chevrolet Volt Onboard Charger

    SciTech Connect (OSTI)

    Richard Carlson

    2012-04-01

    This is a report for public consumption, for the AVTA website, detailing the testing and analysis of the benchmark testing conducted on the Chevrolet Volt on-board charger.

  3. Tunable mega-ampere electron current propagation in solids by dynamic control of lattice melt

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    MacLellan, D.? A.; Carroll, D.? C.; Gray, R.? J.; Booth, N.; Burza, M.; Desjarlais, M.? P.; Du, F.; Neely, D.; Powell, H.? W.; Robinson, A.? P.?L.; et al

    2014-10-31

    The influence of lattice-melt-induced resistivity gradients on the transport of mega-ampere currents of fast electrons in solids is investigated numerically and experimentally using laser-accelerated protons to induce isochoric heating. Tailoring the heating profile enables the resistive magnetic fields which strongly influence the current propagation to be manipulated. This tunable laser-driven process enables important fast electron beam properties, including the beam divergence, profile, and symmetry to be actively tailored, and without recourse to complex target manufacture.

  4. Actual Versus Estimated Utility Factor of a Large Set of Privately Owned Chevrolet Volts

    SciTech Connect (OSTI)

    John Smart; Thomas Bradley; Stephen Schey

    2014-04-01

    In order to determine the overall fuel economy of a plug-in hybrid electric vehicle (PHEV), the amount of operation in charge depleting (CD) versus charge sustaining modes must be determined. Mode of operation is predominantly dependent on customer usage of the vehicle and is therefore highly variable. The utility factor (UF) concept was developed to quantify the distance a group of vehicles has traveled or may travel in CD mode. SAE J2841 presents a UF calculation method based on data collected from travel surveys of conventional vehicles. UF estimates have been used in a variety of areas, including the calculation of window sticker fuel economy, policy decisions, and vehicle design determination. The EV Project, a plug-in electric vehicle charging infrastructure demonstration being conducted across the United States, provides the opportunity to determine the real-world UF of a large group of privately owned Chevrolet Volt extended range electric vehicles. Using data collected from Volts enrolled in The EV Project, this paper compares the real-world UF of two groups of Chevrolet Volts to estimated UF's based on J2841. The actual observed fleet utility factors (FUF) for the MY2011/2012 and MY2013 Volt groups studied were observed to be 72% and 74%, respectively. Using the EPA CD ranges, the method prescribed by J2841 estimates a FUF of 65% and 68% for the MY2011/2012 and MY2013 Volt groups, respectively. Volt drivers achieved higher percentages of distance traveled in EV mode for two reasons. First, they had fewer long-distance travel days than drivers in the national travel survey referenced by J2841. Second, they charged more frequently than the J2841 assumption of once per day - drivers of Volts in this study averaged over 1.4 charging events per day. Although actual CD range varied widely as driving conditions varied, the average CD ranges for the two Volt groups studied matched the EPA CD range estimates, so CD range variation did not affect FUF results.

  5. Engineering Design and Fabrication of an Ampere-Class Superconducting Photocathode Electron Gun

    SciTech Connect (OSTI)

    Ben-Zvi,I.

    2008-11-17

    Over the past three years, Advanced Energy Systems and Brookhaven National Laboratory (BNL) have been collaborating on the design of an Ampere- class superconducting photocathode electron gun. BNL performed the physics design of the overall system and RF cavity under prior programs. Advanced Energy Systems (AES) is currently responsible for the engineering design and fabrication of the electron gun under contract to BNL. We will report on the engineering design and fabrication status of the superconducting photocathode electron gun. The overall configuration of the cryomodule will be reviewed. The layout of the hermitic string, space frame, shielding package, and cold mass will be discussed. The engineering design of the gun cavity and removable cathode will be presented in detail and areas of technical risk will be highlighted. Finally, the fabrication sequence and fabrication status of the gun cavity will be discussed.

  6. Generation of mega-electron-volt electron beams by an ultrafast intense laser pulse

    E-Print Network [OSTI]

    Umstadter, Donald

    Generation of mega-electron-volt electron beams by an ultrafast intense laser pulse Xiaofang Wang filamentation and beam breakup. These results suggest an approach for generating a beam of femtosecond, Me-intensity lasers has made it pos- sible to study extreme physics on a tabletop. Among the studies, the generation

  7. How many electric miles do Nissan Leafs and Chevrolet Volts in The EV Project travel?

    SciTech Connect (OSTI)

    John Smart

    2014-05-01

    This paper presents travel statistics and metrics describing the driving behavior of Nissan Leaf and Chevrolet Volt drivers in the EV Project. It specifically quantifies the distance each group of vehicles drives each month. This paper will be published to INL's external website and will be accessible by the general public.

  8. How much are Chevrolet Volts in The EV Project driven in EV Mode?

    SciTech Connect (OSTI)

    John Smart

    2013-08-01

    This report summarizes key conclusions from analysis of data collected from Chevrolet Volts participating in The EV Project. Topics include how many miles are driven in EV mode, how far vehicles are driven between charging events, and how much energy is charged from the electric grid per charging event.

  9. Two-fluid simulations of driven reconnection in the Mega-Ampere Spherical Tokamak

    E-Print Network [OSTI]

    Stanier, A; Gordovskyy, M; McClements, K G; Gryaznevich, M P; Lukin, V S

    2013-01-01

    In the merging-compression method of plasma start-up, two flux-ropes with parallel toroidal current are formed around in-vessel poloidal field coils, before merging to form a spherical tokamak plasma. This start-up method, used in the Mega-Ampere Spherical Tokamak (MAST), is studied as a high Lundquist number and low plasma-beta magnetic reconnection experiment. In this paper, 2D fluid simulations are presented of this merging process in order to understand the underlying physics, and better interpret the experimental data. These simulations examine the individual and combined effects of tight-aspect ratio geometry and two-fluid physics on the merging. The ideal self-driven flux-rope dynamics are coupled to the diffusion layer physics, resulting in a large range of phenomena. For resistive MHD simulations, the flux-ropes enter the sloshing regime for normalised resistivity eta < 1E-5. In Hall-MHD three regimes are found for the qualitative behaviour of the current sheet, depending on the ratio of the curre...

  10. Where do Chevrolet Volt drivers in The EV Project charge when they have the opportunity to charge at work?

    SciTech Connect (OSTI)

    John Smart; Don Scoffield

    2014-03-01

    This paper investigates where Chevy Volt drivers in the EV Project charge when they have the opportunity to charge at work. Do they charge at home, work, or some other location.

  11. Connectivity-Enhanced Route Selection and Adaptive Control for the Chevrolet Volt: Preprint

    SciTech Connect (OSTI)

    Gonder, J.; Wood, E.; Rajagopalan, S.

    2014-09-01

    The National Renewable Energy Laboratory and General Motors evaluated connectivity-enabled efficiency enhancements for the Chevrolet Volt. A high-level model was developed to predict vehicle fuel and electricity consumption based on driving characteristics and vehicle state inputs. These techniques were leveraged to optimize energy efficiency via green routing and intelligent control mode scheduling, which were evaluated using prospective driving routes between tens of thousands of real-world origin/destination pairs. The overall energy savings potential of green routing and intelligent mode scheduling was estimated at 5% and 3% respectively. These represent substantial opportunities considering that they only require software adjustments to implement.

  12. One-volt p-InP/n-CdSe regenerative photoelectrochemical cell

    SciTech Connect (OSTI)

    Ang, P.G.P.; Sammells, A.F.

    1983-08-01

    Features and performance of a two-photoelectrode regenerative photoelectrochemical (PEC) cell that yielded a combined photovoltage of more than one volt are reported. The photoanode was n-CdSe, the photocathode was p-InP, and the electrolyte was aqueous sulfide/polysulfide. Details of the fabrication process are provided, including formation of an ohmic contact by sputter deposited gold and then electroplating the photocathode with Zn, followed by a final sputtered gold layer. Tests under 100 mW/sq cm illumination of the unoptimized regenerative cell produced an open circuit voltage of 1.15 V, a short circuit current of 24 mA/sq cm, a fill factor of 0.40, and an overall efficiency of 5.5 percent.

  13. 2011 Chevrolet Volt VIN 0815 Plug-In Hybrid Electric Vehicle Battery Test Results

    SciTech Connect (OSTI)

    Tyler Gray; Matthew Shirk; Jeffrey Wishart

    2013-07-01

    The U.S. Department of Energy (DOE) Advanced Vehicle Testing Activity (AVTA) program consists of vehicle, battery, and infrastructure testing on advanced technology related to transportation. The activity includes tests on plug-in hybrid electric vehicles (PHEVs), including testing the PHEV batteries when both the vehicles and batteries are new and at the conclusion of 12,000 miles of on-road fleet testing. This report documents battery testing performed for the 2011 Chevrolet Volt PHEV (VIN 1G1RD6E48BU100815). The battery testing was performed by the Electric Transportation Engineering Corporation (eTec) dba ECOtality North America. The Idaho National Laboratory and ECOtality North America collaborate on the AVTA for the Vehicle Technologies Program of the DOE.

  14. What Kind of Charging Infrastructure Do Chevrolet Volt Drivers in The EV Project Use and When Do They Use It?

    SciTech Connect (OSTI)

    Shawn Salisbury

    2014-09-01

    This document will present information describing the charging behavior of Chevrolet Volts that were enrolled in the EV Project. It will included aggregated data from more than 1,800 vehicles regarding locations, power levels, and time-of-day of charging events performed by those vehicles. This document will be published to the INL AVTA website.

  15. Reactive Maintenance

    Broader source: Energy.gov [DOE]

    Reactive maintenance follows a run-it-until-it-breaks strategy where no actions or efforts are taken to maintain equipment as intended by the manufacturer. Studies indicate this is still the predominant mode of maintenance for Federal facilities.

  16. Causal Analysis of the Inadvertent Contact with an Uncontrolled Electrical Hazardous Energy Source (120 Volts AC)

    SciTech Connect (OSTI)

    David E. James; Dennis E. Raunig; Sean S. Cunningham

    2014-10-01

    On September 25, 2013, a Health Physics Technician (HPT) was performing preparations to support a pneumatic transfer from the HFEF Decon Cell to the Room 130 Glovebox in HFEF, per HFEF OI 3165 section 3.5, Field Preparations. This activity involves an HPT setting up and climbing a portable ladder to remove the 14-C meter probe from above ball valve HBV-7. The HPT source checks the meter and probe and then replaces the probe above HBV-7, which is located above Hood ID# 130 HP. At approximately 13:20, while reaching past the HBV-7 valve position indicator switches in an attempt to place the 14-C meter probe in the desired location, the HPT’s left forearm came in contact with one of the three sets of exposed terminals on the valve position indication switches for HBV 7. This resulted in the HPT receiving an electrical shock from a 120 Volt AC source. Upon moving the arm, following the electrical shock, the HPT noticed two exposed electrical connections on a switch. The HPT then notified the HFEF HPT Supervisor, who in turn notified the MFC Radiological Controls Manager and HFEF Operations Manager of the situation. Work was stopped in the area and the hazard was roped off and posted to prevent access to the hazard. The HPT was escorted by the HPT Supervisor to the MFC Dispensary and then preceded to CFA medical for further evaluation. The individual was evaluated and released without any medical restrictions. Causal Factor (Root Cause) A3B3C01/A5B2C08: - Knowledge based error/Attention was given to wrong issues - Written Communication content LTA, Incomplete/situation not covered The Causal Factor (root cause) was attention being given to the wrong issues during the creation, reviews, verifications, and actual performance of HFEF OI-3165, which covers the need to perform the weekly source check and ensure placement of the probe prior to performing a “rabbit” transfer. This resulted in the hazard not being identified and mitigated in the procedure. Work activities with in HFEF-OI-3165 placed the HPT in proximity of an unmitigated hazard directly resulting in this event. Contributing Factor A3B3C04/A4B5C04: - Knowledge Based Error, LTA Review Based on Assumption That Process Will Not Change - Change Management LTA, Risks/consequences associated with change not adequately reviewed/assessed Prior to the pneumatic system being out of service, the probe and meter were not being source checked together. The source check issue was identified and addressed during the period of time when the system was out of service. The corrective actions for this issue resulted in the requirement that a meter and probe be source checked together as it is intended to be used. This changed the activity and required an HPT to weekly, when in use, remove and install the probe from above HBV-7 to meet the requirement of LRD 15001 Part 5 Article 551.5. Risks and consequences associated with this change were not adequately reviewed or assessed. Failure to identify the hazard associated with this change directly contributed to this event.

  17. MO-E-18C-05: Global Health Catalyst: A Novel Platform for Enhancing Access to Medical Physics Education and Research Excellence (AMPERE)

    SciTech Connect (OSTI)

    Ngwa, W; Moreau, M; Asana, L

    2014-06-15

    Purpose: To develop a platform for catalyzing collaborative global Cancer Care Education and Research (CaRE), with a prime focus on enhancing Access to Medical Physics Education and Research Excellence (AMPERE) Methods: An analysis of over 50 global health collaborations between partners in the U.S. and low and middle income countries (LMIC) in Africa was carried out to assess the models of collaborations in Education and Research and relative success. A survey was carried out with questions including: the nature of the collaboration, how it was initiated, impact of culture and other factors, and recommendations for catalyzing/enhancing such collaborations. An online platform called Global Health Catalyst was developed for enhancing AMPERE. Results: The analysis yielded three main models for global health collaborations with survey providing key recommendations on how to enhance such collaborations. Based on this, the platform was developed, and customized to allow Medical Physicists and other Radiation oncology (RadOnc) professionals interested in participating in Global health to readily do so e.g. teach an online course module, participate in training Medical Physicists or other RadOnc health professionals in LMIC, co-mentor students, residents or postdocs, etc. The growing list of features on the platform also include: a feature to enable people to easily find each other, form teams, operate more effectively as partners from different disciplines, institutions, nations and cultural backgrounds, share tools and technologies, obtain seed funding to develop curricula and/or embark upon new areas of investigation, and participate in humanitarian outreach: remote treatment planning assistance, and participation in virtual Chart Rounds, etc. Conclusion: The developed Global Health Catalyst platform could enable any Medical Physicist or RadoOnc professional interested in global health to readily participate in the Education/training of next generation RadOnc professionals and global health leaders, and enhance AMPERE, especially for LMIC.

  18. Electron-Atom Superelastic Scattering in Magnesium at Millielectron Volt Energies T. Baynard, A. C. Reber, R. F. Niedziela,| S. A. Darveau, B. Prutzman,# and R. S. Berry*,

    E-Print Network [OSTI]

    Berry, R. Stephen

    Electron-Atom Superelastic Scattering in Magnesium at Millielectron Volt Energies T. Baynard, A. C ReceiVed: July 17, 2007; In Final Form: September 16, 2007 The energy dependence of superelastic electron source to collide with excited atoms. Measurements are made at energies as low as 1.5 me

  19. Reactive facies: An approach for parameterizing field-scale reactive...

    Office of Scientific and Technical Information (OSTI)

    Reactive facies: An approach for parameterizing field-scale reactive transport models using geophysical methods Citation Details In-Document Search Title: Reactive facies: An...

  20. System for reactivating catalysts

    DOE Patents [OSTI]

    Ginosar, Daniel M. (Idaho Falls, ID); Thompson, David N. (Idaho Falls, ID); Anderson, Raymond P. (Idaho Falls, ID)

    2010-03-02

    A method of reactivating a catalyst, such as a solid catalyst or a liquid catalyst is provided. The method comprises providing a catalyst that is at least partially deactivated by fouling agents. The catalyst is contacted with a fluid reactivating agent that is at or above a critical point of the fluid reactivating agent and is of sufficient density to dissolve impurities. The fluid reactivating agent reacts with at least one fouling agent, releasing the at least one fouling agent from the catalyst. The at least one fouling agent becomes dissolved in the fluid reactivating agent and is subsequently separated or removed from the fluid reactivating agent so that the fluid reactivating agent may be reused. A system for reactivating a catalyst is also disclosed.

  1. Orange and Rockland Case Study

    Broader source: Energy.gov (indexed) [DOE]

    capital expenditures, (3) operational savings, (4) lower electricity costs, and (5) lower electricity consumption and environmental emissions through voltage and volt-amperes...

  2. Synchronous Reactive Systems Stephen Edwards

    E-Print Network [OSTI]

    -state machines 5 #12;STEPHEN EDWARDS SYNCHRONOUS REACTIVE SYSTEMS The Synchronous Model of Time SynchronousSynchronous Reactive Systems Stephen Edwards http://www.eecs.berkeley.edu/~sedwards/ University of California, Berkeley #12;STEPHEN EDWARDS SYNCHRONOUS REACTIVE SYSTEMS Outline Synchronous Reactive Systems

  3. Reactive power compensator

    DOE Patents [OSTI]

    El-Sharkawi, Mohamed A. (Renton, WA); Venkata, Subrahmanyam S. (Woodinville, WA); Chen, Mingliang (Kirkland, WA); Andexler, George (Everett, WA); Huang, Tony (Seattle, WA)

    1992-01-01

    A system and method for determining and providing reactive power compensation for an inductive load. A reactive power compensator (50,50') monitors the voltage and current flowing through each of three distribution lines (52a, 52b, 52c), which are supplying three-phase power to one or more inductive loads. Using signals indicative of the current on each of these lines when the voltage waveform on the line crosses zero, the reactive power compensator determines a reactive power compensator capacitance that must be connected to the lines to maintain a desired VAR level, power factor, or line voltage. Alternatively, an operator can manually select a specific capacitance for connection to each line, or the capacitance can be selected based on a time schedule. The reactive power compensator produces control signals, which are coupled through optical fibers (102/106) to a switch driver (110, 110') to select specific compensation capacitors (112) for connections to each line. The switch driver develops triggering signals that are supplied to a plurality of series-connected solid state switches (350), which control charge current in one direction in respect to ground for each compensation capacitor. During each cycle, current flows from ground to charge the capacitors as the voltage on the line begins to go negative from its positive peak value. The triggering signals are applied to gate the solid state switches into a conducting state when the potential on the lines and on the capacitors reaches a negative peak value, thereby minimizing both the potential difference and across the charge current through the switches when they begin to conduct. Any harmonic distortion on the potential and current carried by the lines is filtered out from the current and potential signals used by the reactive power compensator so that it does not affect the determination of the required reactive compensation.

  4. Reactive Power Compensator.

    DOE Patents [OSTI]

    El-Sharkawi, M.A.; Venkata, S.S.; Chen, M.; Andexler, G.; Huang, T.

    1992-07-28

    A system and method for determining and providing reactive power compensation for an inductive load. A reactive power compensator (50,50') monitors the voltage and current flowing through each of three distribution lines (52a, 52b, 52c), which are supplying three-phase power to one or more inductive loads. Using signals indicative of the current on each of these lines when the voltage waveform on the line crosses zero, the reactive power compensator determines a reactive power compensator capacitance that must be connected to the lines to maintain a desired VAR level, power factor, or line voltage. Alternatively, an operator can manually select a specific capacitance for connection to each line, or the capacitance can be selected based on a time schedule. The reactive power compensator produces control signals, which are coupled through optical fibers (102/106) to a switch driver (110, 110') to select specific compensation capacitors (112) for connections to each line. The switch driver develops triggering signals that are supplied to a plurality of series-connected solid state switches (350), which control charge current in one direction in respect to ground for each compensation capacitor. During each cycle, current flows from ground to charge the capacitors as the voltage on the line begins to go negative from its positive peak value. The triggering signals are applied to gate the solid state switches into a conducting state when the potential on the lines and on the capacitors reaches a negative peak value, thereby minimizing both the potential difference and across the charge current through the switches when they begin to conduct. Any harmonic distortion on the potential and current carried by the lines is filtered out from the current and potential signals used by the reactive power compensator so that it does not affect the determination of the required reactive compensation. 26 figs.

  5. Reactive Power Compensating System.

    DOE Patents [OSTI]

    Williams, Timothy J.; El-Sharkawi, Mohamed A.; Venkata, Subrahmanyam S.

    1985-01-04

    The circuit was designed for the specific application of wind-driven induction generators. It has great potential for application in any situation where a varying reactive power load is present, such as with induction motors or generators, or for transmission network compensation.

  6. Reactive power compensating system

    DOE Patents [OSTI]

    Williams, Timothy J. (Redondo Beach, CA); El-Sharkawi, Mohamed A. (Renton, WA); Venkata, Subrahmanyam S. (Seattle, WA)

    1987-01-01

    The reactive power of an induction machine is compensated by providing fixed capacitors on each phase line for the minimum compensation required, sensing the current on one line at the time its voltage crosses zero to determine the actual compensation required for each phase, and selecting switched capacitors on each line to provide the balance of the compensation required.

  7. Reactive Air Aluminization

    SciTech Connect (OSTI)

    Choi, Jung-Pyung; Chou, Y. S.; Stevenson, Jeffry W.

    2011-10-28

    Ferritic stainless steels and other alloys are of great interest to SOFC developers for applications such as interconnects, cell frames, and balance of plant components. While these alloys offer significant advantages (e.g., low material and manufacturing cost, high thermal conductivity, and high temperature oxidation resistance), there are challenges which can hinder their utilization in SOFC systems; these challenges include Cr volatility and reactivity with glass seals. To overcome these challenges, protective coatings and surface treatments for the alloys are under development. In particular, aluminization of alloy surfaces offers the potential for mitigating both evaporation of Cr from the alloy surface and reaction of alloy constituents with glass seals. Commercial aluminization processes are available to SOFC developers, but they tend to be costly due to their use of exotic raw materials and/or processing conditions. As an alternative, PNNL has developed Reactive Air Aluminization (RAA), which offers a low-cost, simpler alternative to conventional aluminization methods.

  8. Reactive arthritis – two different cases

    E-Print Network [OSTI]

    Brzezinski, Piotr

    2014-01-01

    syndrome asso- ciated with psoriasis - case report. Actacutaneous lesions of psoriasis (Hg. 3). Fig. 1. BalanitisII. Comparison between psoriasis, reactive arthritis and

  9. 25000 Volts Under the Sea

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home RoomPreservationBio-InspiredAtmosphericdevicesPPONeApril 30,University

  10. Sky Volt | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmental Jump to:EA EIS ReportEurope GmbH Jump to:Idaho-Utah |RenovablesSixthPower

  11. Thermal analysis of vascular reactivity 

    E-Print Network [OSTI]

    Deshpande, Chinmay Vishwas

    2009-05-15

    ANALYSIS OF VASCULAR REACTIVITY A Thesis by CHINMAY DESHPANDE Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE Approved by: Chair of Committee, Obdulia Ley... of Advisory Committee: Dr. Obdulia Ley Cardiovascular disease (CVD) is the leading cause of death in the United States. Analysis of vascular reactivity (VR) in response to brachial artery occlusion is used to estimate arterial health and to determine...

  12. Engine combustion control via fuel reactivity stratification

    DOE Patents [OSTI]

    Reitz, Rolf Deneys; Hanson, Reed M.; Splitter, Derek A.; Kokjohn, Sage L.

    2015-07-14

    A compression ignition engine uses two or more fuel charges having two or more reactivities to control the timing and duration of combustion. In a preferred implementation, a lower-reactivity fuel charge is injected or otherwise introduced into the combustion chamber, preferably sufficiently early that it becomes at least substantially homogeneously dispersed within the chamber before a subsequent injection is made. One or more subsequent injections of higher-reactivity fuel charges are then made, and these preferably distribute the higher-reactivity matter within the lower-reactivity chamber space such that combustion begins in the higher-reactivity regions, and with the lower-reactivity regions following thereafter. By appropriately choosing the reactivities of the charges, their relative amounts, and their timing, combustion can be tailored to achieve optimal power output (and thus fuel efficiency), at controlled temperatures (and thus controlled NOx), and with controlled equivalence ratios (and thus controlled soot).

  13. Mitochondrial reactive oxygen species and cancer

    E-Print Network [OSTI]

    Chandel, Navdeep S

    Mitochondria produce reactive oxygen species (mROS) as a natural by-product of electron transport chain activity. While initial studies focused on the damaging effects of reactive oxygen species, a recent paradigm shift ...

  14. Engine combustion control via fuel reactivity stratification

    DOE Patents [OSTI]

    Reitz, Rolf Deneys; Hanson, Reed M; Splitter, Derek A; Kokjohn, Sage L

    2013-12-31

    A compression ignition engine uses two or more fuel charges having two or more reactivities to control the timing and duration of combustion. In a preferred implementation, a lower-reactivity fuel charge is injected or otherwise introduced into the combustion chamber, preferably sufficiently early that it becomes at least substantially homogeneously dispersed within the chamber before a subsequent injection is made. One or more subsequent injections of higher-reactivity fuel charges are then made, and these preferably distribute the higher-reactivity matter within the lower-reactivity chamber space such that combustion begins in the higher-reactivity regions, and with the lower-reactivity regions following thereafter. By appropriately choose the reactivities of the charges, their relative amounts, and their timing, combustion can be tailored to achieve optimal power output (and thus fuel efficiency), at controlled temperatures (and thus controlled NOx), and with controlled equivalence ratios (and thus controlled soot).

  15. Reactive composite compositions and mat barriers

    DOE Patents [OSTI]

    Langton, Christine A. (Aiken, SC); Narasimhan, Rajendran (Evans, GA); Karraker, David G. (Aiken, SC)

    2001-01-01

    A hazardous material storage area has a reactive multi-layer composite mat which lines an opening into which a reactive backfill and hazardous material are placed. A water-inhibiting cap may cover the hazardous material storage area. The reactive multi-layer composite mat has a backing onto which is placed an active layer which will neutralize or stabilize hazardous waste and a fronting layer so that the active layer is between the fronting and backing layers. The reactive backfill has a reactive agent which can stabilize or neutralize hazardous material and inhibit the movement of the hazardous material through the hazardous material storage area.

  16. Amper Central Solar SA | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmental Jump to:EAandAmminex A S Jump to: navigation, search Name: Amminex A/SAmonix

  17. Umass Lowell, ECE Fall 2014, Tingshu Hu 16.201 Introductory Circuit Theory I

    E-Print Network [OSTI]

    Hu, Tingshu

    -ampere characteristics, energy relations, First-order transients: initial conditions, natural response, and natural frequencies. Network response to unit step function and unit impulse. Second-order transients: RLC circuits circuit elements through terminal descriptions, volt-ampere relationships and energy consumption/storage

  18. Umass Lowell, ECE Spring 2014, Tingshu Hu 16.201 Introductory Circuit Theory I

    E-Print Network [OSTI]

    Hu, Tingshu

    -ampere characteristics, energy relations, First-order transients: initial conditions, natural response, and natural frequencies. Network response to unit step function and unit impulse. Second-order transients: RLC circuits circuit elements through terminal descriptions, volt-ampere relationships and energy consumption/storage

  19. 2.6 ELECTRIC AND MAGNETIC FIELDS Introduction

    E-Print Network [OSTI]

    California at Santa Cruz, University of

    325 §2.6 ELECTRIC AND MAGNETIC FIELDS Introduction In electromagnetic theory the mks system MKS units Replacement symbol GAUSSIAN units # E (Electric field) volt/m # E statvolt/cm # B (Magnetic Magnetic field) ampere/m c # H 4# oersted # J (Current density) ampere/m 2 # J statampere/cm 2 # A (Vector

  20. Layered reactive particles with controlled geometries, energies, and reactivities, and methods for making the same

    DOE Patents [OSTI]

    Fritz, Gregory M; Knepper, Robert Allen; Weihs, Timothy P; Gash, Alexander E; Sze, John S

    2013-04-30

    An energetic composite having a plurality of reactive particles each having a reactive multilayer construction formed by successively depositing reactive layers on a rod-shaped substrate having a longitudinal axis, dividing the reactive-layer-deposited rod-shaped substrate into a plurality of substantially uniform longitudinal segments, and removing the rod-shaped substrate from the longitudinal segments, so that the reactive particles have a controlled, substantially uniform, cylindrically curved or otherwise rod-contoured geometry which facilitates handling and improves its packing fraction, while the reactant multilayer construction controls the stability, reactivity and energy density of the energetic composite.

  1. Exploring the reactivity of bacterial multicomponent monooxygenases

    E-Print Network [OSTI]

    Tinberg, Christine Elaine

    2010-01-01

    Chapter 1. Introduction: The Reactivity of Bacterial Multicomponent Monooxygenases Bacterial multicomponent monooxygenases constitute a remarkable family of enzymes that oxidize small, inert hydrocarbon substrates using ...

  2. Rejuvenating Permeable Reactive Barriers by Chemical Flushing

    Broader source: Energy.gov [DOE]

    Final Report:Rejuvenating Permeable Reactive Barriers by Chemical Flushing,U.S. Environmental Protection Agency, Region 8 Support.August 2004

  3. High Efficiency Fuel Reactivity Controlled Compression Ignition...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    High Efficiency Fuel Reactivity Controlled Compression Ignition Combustion An optimized dual-fuel PCCI concept, RCCI, is proposed. deer10reitz.pdf More Documents & Publications...

  4. Permeable Reactive Barriers | Department of Energy

    Office of Environmental Management (EM)

    reaction occurs with the barrier material that results in adsorption, mineral precipitation, or degradation to a harmless compound. Reactive barriers that do not incorporate...

  5. Method for reactivating catalysts and a method for recycling supercritical fluids used to reactivate the catalysts

    DOE Patents [OSTI]

    Ginosar, Daniel M. (Idaho Falls, ID); Thompson, David N. (Idaho Falls, ID); Anderson, Raymond P. (Idaho Falls, ID)

    2008-08-05

    A method of reactivating a catalyst, such as a solid catalyst or a liquid catalyst. The method comprises providing a catalyst that is at least partially deactivated by fouling agents. The catalyst is contacted with a fluid reactivating agent that is at or above a critical point of the fluid reactivating agent and is of sufficient density to dissolve impurities. The fluid reactivating agent reacts with at least one fouling agent, releasing the at least one fouling agent from the catalyst. The at least one fouling agent becomes dissolved in the fluid reactivating agent and is subsequently separated or removed from the fluid reactivating agent so that the fluid reactivating agent may be reused. A system for reactivating a catalyst is also disclosed.

  6. Reactive Power Support Services in Electricity Markets

    E-Print Network [OSTI]

    Reactive Power Support Services in Electricity Markets Costing and Pricing of Ancillary Services Reactive Power Support Services in Electricity Markets Costing and Pricing of Ancillary Services Project and Pricing of Ancillary Services." The project title reflects the original proposal that was prepared

  7. Controlling uranium reactivity March 18, 2008

    E-Print Network [OSTI]

    Meyer, Karsten

    March 2008 Controlling uranium reactivity March 18, 2008 Uranium is an often misunderstood metal uranium research. In reality, uranium presents a wealth of possibilities for funda- mental chemistry. Many research groups have been involved in utilizing the large size and unique reactivity of the uranium atom

  8. Shield Synthesis: Runtime Enforcement for Reactive Systems

    E-Print Network [OSTI]

    Wang, Chao

    Shield Synthesis: Runtime Enforcement for Reactive Systems Roderick Bloem1 , Bettina K¨onighofer1 shield" that is attached to the design to enforce the properties at run time. Shield synthesis can of reactive synthesis. The shield continuously monitors the input/output of the design and corrects its erro

  9. Reactive Molecular Simulations of Protonation of Water Clusters...

    Office of Scientific and Technical Information (OSTI)

    Reactive Molecular Simulations of Protonation of Water Clusters and Depletion of Acidity in H-ZSM-5 Zeolite Citation Details In-Document Search Title: Reactive Molecular...

  10. Light-Duty Reactivity Controlled Compression Ignition Drive Cycle...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Light-Duty Reactivity Controlled Compression Ignition Drive Cycle Fuel Economy and Emissions Estimates Light-Duty Reactivity Controlled Compression Ignition Drive Cycle Fuel...

  11. Characterization of Dual-Fuel Reactivity Controlled Compression...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Dual-Fuel Reactivity Controlled Compression Ignition (RCCI) Using Hydrated Ethanol and Diesel Fuel Characterization of Dual-Fuel Reactivity Controlled Compression Ignition (RCCI)...

  12. Inducing and Quantifying Forbidden Reactivity with Single Molecule...

    Office of Scientific and Technical Information (OSTI)

    Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer Mechanochemistry Citation Details In-Document Search Title: Inducing and Quantifying Forbidden Reactivity...

  13. Theoretical and Experimental Evaluation of Chemical Reactivity 

    E-Print Network [OSTI]

    Wang, Qingsheng

    2011-10-21

    theoretical and experimental methods. Methylcyclopentadiene (MCP) and Hydroxylamine (HA) are selected as representatives of unsaturated hydrocarbons and self-reacting chemicals, respectively. Chemical reactivity of MCP, including isomerization, dimerization...

  14. Reactivity control assembly for nuclear reactor

    DOE Patents [OSTI]

    Bollinger, Lawrence R. (Schenectady, NY)

    1984-01-01

    Reactivity control assembly for nuclear reactor comprises supports stacked above reactor core for holding control rods. Couplers associated with the supports and a vertically movable drive shaft have lugs at their lower ends for engagement with the supports.

  15. Cell Comp't Thermal Reactivity & Improvements

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    for better abuse tolerance Coating cathode particle with stable nano-films of Al-oxide or Al-fluoride that act as a barrier against electrolyte reactivity with cathodes ...

  16. Groundwater well with reactive filter pack

    DOE Patents [OSTI]

    Gilmore, T.J.; Holdren, G.R. Jr.; Kaplan, D.I.

    1998-09-08

    A method and apparatus are disclosed for the remediation of contaminated soil and ground water wherein a reactive pack material is added to the annular fill material utilized in standard well construction techniques. 3 figs.

  17. Groundwater well with reactive filter pack

    DOE Patents [OSTI]

    Gilmore, Tyler J. (Pasco, WA); Holdren, Jr., George R. (Kennewick, WA); Kaplan, Daniel I. (Richland, WA)

    1998-01-01

    A method and apparatus for the remediation of contaminated soil and ground water wherein a reactive pack material is added to the annular fill material utilized in standard well construction techniques.

  18. Systematic approach for chemical reactivity evaluation 

    E-Print Network [OSTI]

    Aldeeb, Abdulrehman Ahmed

    2004-09-30

    incidents, and have harmed people, property, and the environment. Evaluation of reactive chemical hazards is critical to design and operate safer chemical plant processes. Much effort is needed for experimental techniques, mainly calorimetric analysis...

  19. Reactive Attachment Disorder: Concepts, Treatment, and Research

    E-Print Network [OSTI]

    Walter, Uta M.; Petr, Chris

    2004-06-01

    Reactive Attachment Disorder (RAD) is a disorder characterized by controversy, both with respect to its definition and its treatment. By definition, the RAD diagnosis attempts to characterize and explain the origin of certain troubling behaviors...

  20. Animal Agency in Le Quattro Volte

    E-Print Network [OSTI]

    McMahon, Laura

    2015-03-01

    Phillips notes, the film is ‘[v]irtually without human speech, yet hardly ever silent’; ‘[s]o many bleats, barks, buzzing and birdsong fills [sic] the soundtrack, the lack of human voices barely registers.’21 While the goatherd’s cough is persistent...

  1. HelioVolt Corporation | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History View NewTexas: Energy Resources Jump to: navigation, searchHeber,Heinsight SolutionsHelioPower

  2. HelioVolt Inc | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History View NewTexas: Energy Resources Jump to: navigation, searchHeber,Heinsight SolutionsHelioPowerInc

  3. HydroVolts | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsource History View NewGuam: Energyarea,Magazine

  4. Water reactive hydrogen fuel cell power system

    DOE Patents [OSTI]

    Wallace, Andrew P; Melack, John M; Lefenfeld, Michael

    2014-11-25

    A water reactive hydrogen fueled power system includes devices and methods to combine reactant fuel materials and aqueous solutions to generate hydrogen. The generated hydrogen is converted in a fuel cell to provide electricity. The water reactive hydrogen fueled power system includes a fuel cell, a water feed tray, and a fuel cartridge to generate power for portable power electronics. The removable fuel cartridge is encompassed by the water feed tray and fuel cell. The water feed tray is refillable with water by a user. The water is then transferred from the water feed tray into the fuel cartridge to generate hydrogen for the fuel cell which then produces power for the user.

  5. Water reactive hydrogen fuel cell power system

    DOE Patents [OSTI]

    Wallace, Andrew P; Melack, John M; Lefenfeld, Michael

    2014-01-21

    A water reactive hydrogen fueled power system includes devices and methods to combine reactant fuel materials and aqueous solutions to generate hydrogen. The generated hydrogen is converted in a fuel cell to provide electricity. The water reactive hydrogen fueled power system includes a fuel cell, a water feed tray, and a fuel cartridge to generate power for portable power electronics. The removable fuel cartridge is encompassed by the water feed tray and fuel cell. The water feed tray is refillable with water by a user. The water is then transferred from the water feed tray into a fuel cartridge to generate hydrogen for the fuel cell which then produces power for the user.

  6. Goldschmidt Conference Abstracts 2005 Mineral Surface Reactivity

    E-Print Network [OSTI]

    Sparks, Donald L.

    Goldschmidt Conference Abstracts 2005 Mineral Surface Reactivity A492 "Hydration" of rhyolitic of Tennessee, Knoxville, Tennessee 37996, USA 2 Chemical Sciences Division, MS 6110, P.O. Box 2008, Bldg. 4500S, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110, USA 3 Chemical Sciences Division, MS

  7. Neutron Radiography Reactor Reactivity -- Focused Lessons Learned

    SciTech Connect (OSTI)

    Eric Woolstenhulme; Randal Damiana; Kenneth Schreck; Ann Marie Phillips; Dana Hewit

    2010-11-01

    As part of the Global Threat Reduction Initiative, the Neutron Radiography Reactor (NRAD) at the Idaho National Laboratory (INL) was converted from using highly enriched uranium (HEU) to low enriched uranium (LEU) fuel. After the conversion, NRAD resumed operations and is meeting operational requirements. Radiography image quality and the number of images that can be produced in a given time frame match pre-conversion capabilities. However, following the conversion, NRAD’s excess reactivity with the LEU fuel was less than it had been with the HEU fuel. Although some differences between model predictions and actual performance are to be expected, the lack of flexibility in NRAD’s safety documentation prevented adjusting the reactivity by adding more fuel, until the safety documentation could be modified. To aid future reactor conversions, a reactivity-focused Lessons Learned meeting was held. This report summarizes the findings of the lessons learned meeting and addresses specific questions posed by DOE regarding NRAD’s conversion and reactivity.

  8. Cell Comp't Thermal Reactivity & Improvements | Department of...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Comp't Thermal Reactivity & Improvements Cell Comp't Thermal Reactivity & Improvements Presentation from the U.S. DOE Office of Vehicle Technologies "Mega" Merit Review 2008 on...

  9. Fluid-rock interaction: A reactive transport approach

    E-Print Network [OSTI]

    Steefel, C.

    2009-01-01

    to coupled mass transport and fluid-rock interaction in aof a reactive transport approach in fluid-rock interaction,reactive transport models for fluid-rock interaction. Case

  10. The effects of radient heat on pain reactivity 

    E-Print Network [OSTI]

    Kallina, Charles Frank

    1994-01-01

    Prior research has shown that an aversive event can produce either a decrease (hypoalgesia) or an increase in pain reactivity (hyperalgesia). The present study explores the impact of a suprathreshold exposure to radiant heat on pain reactivity. Rats...

  11. Optimization of Reactive Power based on Newton-Raphson algorithm

    E-Print Network [OSTI]

    Lavaei, Javad

    the reactive power optimization procedures. Introduction In modern power system transmission technology, reactive power optimization is so important that it has direct influence on the high quality and stable transmitting electrical energy. The first part of the article describes the importance of the reactive power

  12. Nuclear reactivity control using laser induced polarization

    DOE Patents [OSTI]

    Bowman, Charles D. (Los Alamos, NM)

    1990-01-01

    A control element for reactivity control of a fission source provides an atomic density of .sup.3 He in a control volume which is effective to control criticality as the .sup.3 He is spin-polarized. Spin-polarization of the .sup.3 He affects the cross section of the control volume for fission neturons and hence, the reactivity. An irradiation source is directed within the .sup.3 He for spin-polarizing the .sup.3 He. An alkali-metal vapor may be included with the .sup.3 He where a laser spin-polarizes the alkali-metal atoms which in turn, spin-couple with .sup.3 He to spin-polarize the .sup.3 He atoms.

  13. Nuclear reactivity control using laser induced polarization

    DOE Patents [OSTI]

    Bowman, Charles D. (Los Alamos, NM)

    1991-01-01

    A control element for reactivity control of a fission source provides an atomic density of .sup.3 He in a control volume which is effective to control criticality as the .sup.3 He is spin-polarized. Spin-polarization of the .sup.3 He affects the cross section of the control volume for fission neutrons and hence, the reactivity. An irradiation source is directed within the .sup.3 He for spin-polarizing the .sup.3 He. An alkali-metal vapor may be included with the .sup.3 He where a laser spin-polarizes the alkali-metal atoms which in turn, spin-couple with .sup.3 He to spin-polarize the .sup.3 He atoms.

  14. Reactivity control assembly for nuclear reactor. [LMFBR

    DOE Patents [OSTI]

    Bollinger, L.R.

    1982-03-17

    This invention, which resulted from a contact with the United States Department of Energy, relates to a control mechanism for a nuclear reactor and, more particularly, to an assembly for selectively shifting different numbers of reactivity modifying rods into and out of the core of a nuclear reactor. It has been proposed heretofore to control the reactivity of a breeder reactor by varying the depth of insertion of control rods (e.g., rods containing a fertile material such as ThO/sub 2/) in the core of the reactor, thereby varying the amount of neutron-thermalizing coolant and the amount of neutron-capturing material in the core. This invention relates to a mechanism which can advantageously be used in this type of reactor control system.

  15. Experimental Evidence for Self-Limiting Reactive Flow through...

    Office of Scientific and Technical Information (OSTI)

    Experimental Evidence for Self-Limiting Reactive Flow through a Fractured Cement Core: Implications for Time-Dependent Wellbore Leakage Citation Details In-Document Search Title:...

  16. Characterization and Surface Reactivity of Ferrihydrite Nanoparticles Assembled in Ferritin

    E-Print Network [OSTI]

    Sparks, Donald L.

    Characterization and Surface Reactivity of Ferrihydrite Nanoparticles Assembled in Ferritin Gang of the nanoparticles were characterized by AFM and STM. Scanning tunneling spectroscopy (STS) measurements suggested

  17. PFLOTRAN User Manual: A Massively Parallel Reactive Flow and...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: PFLOTRAN User Manual: A Massively Parallel Reactive Flow and Transport Model for Describing Surface and Subsurface Processes Citation Details In-Document Search...

  18. PFLOTRAN User Manual: A Massively Parallel Reactive Flow and...

    Office of Scientific and Technical Information (OSTI)

    PFLOTRAN User Manual: A Massively Parallel Reactive Flow and Transport Model for Describing Surface and Subsurface Processes Lichtner, Peter OFM Research; Karra, Satish Los...

  19. Reactive MD Simulations of Electrochemical Oxide Interfaces at...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    National Laboratory Reactive MD Simulations of Electrochemical Oxide Interfaces at Mesoscale PI Name: Subramanian Sankaranarayanan PI Email: skrssank@anl.gov Institution:...

  20. Chemical Imaging and Dynamical Studies of Reactivity and Emergent...

    Office of Scientific and Technical Information (OSTI)

    uses of chemical imaging, and the development of advanced reactivity concepts in combustion and catalysis including carbon management. These activities directly benefitted...

  1. Airborne measurement of OH reactivity during INTEX-B

    E-Print Network [OSTI]

    2009-01-01

    plus OH sign), reactiv- propane ing different gases gases atisoprene (plus sign), propane (star) and propene (triangle).NMHC includes ethane, ethene, propane, propene, i-butane, n-

  2. Effects of ethanol and reactive species on Hepatitis C virus

    E-Print Network [OSTI]

    Seronello, Scott E.

    2010-01-01

    polymerase chain reaction; RNS, reactive nitrogen species;oxygen/nitrogen species (ROS/RNS) and decreased antioxidantincrease the levels of ROS/RNS, oxidized thioredoxin, lipid

  3. Reactive Dehydration technology for Production of Fuels and Chemicals...

    Broader source: Energy.gov (indexed) [DOE]

    Catalytic and Reactive Distillation) for compact, inexpensive production of biomass-based chemicals from complex aqueous mixtures. SeparationPurification of Biomass...

  4. Completing the complex Poynting theorem: Conservation of reactive energy in reactive time

    E-Print Network [OSTI]

    Gerald Kaiser

    2014-12-11

    The complex Poynting theorem is extended canonically to a time-scale domain $(t, s)$ by replacing the phasors of time-harmonic fields by the analytic signals $X(r, t+is)$ of fields $X(r,t)$ with general time dependence. The imaginary time $s>0$ is shown to play the role of a time resolution scale, and the extended Poynting theorem splits into two conservation laws: its real part gives the conservation in $t$ of the scale-averaged active energy at fixed $s$, and its imaginary part gives the conservation in $s$ of the scale-averaged reactive energy at fixed $t$. At coarse scales (large $s$, slow time), where the system reduces to the circuit level, this may have applications to the theory of electric power transmission and conditioning. At fine scales (small $s$, fast time) it describes reactive energy dynamics in radiating systems.

  5. Phase of atmospheric secondary organic material affects its reactivity

    E-Print Network [OSTI]

    of the reactivity of atmospheric SOM particles. atmospheric chemistry chemical aging organic aerosol collectionPhase of atmospheric secondary organic material affects its reactivity Mikinori Kuwata and Scot T of atmospheric organic particles among solid, semisolid, and liquid phases is of keen current scientific interest

  6. Assessment of sequence homology and cross-reactivity

    SciTech Connect (OSTI)

    Aalberse, Rob C. [Department of Immunopathology, Sanquin Research at CLB, Plesmanlaan 125, 1066 CX Amsterdam (Netherlands) and Landsteiner Laboratory, Academic Medical Centre, 1066 CX Amsterdam (Netherlands)]. E-mail: r.aalberse@sanquin.nl

    2005-09-01

    Three aspects of allergenicity assessment and are discussed: IgE immunogenicity, IgE cross-reactivity and T cell cross-reactivity, all with emphasis on in-silico predictability: from amino acid sequence via 3D structure to allergenicity.(1)IgE immunogenicity depends to an overwhelming degree on factors other than the protein itself: the context and history of the protein by the time it reaches the immune system. Without specification of these two factors very few foreign proteins can be claimed to be absolutely non-allergenic. Any antigen may be allergenic, particularly if it avoids activation of TH2-suppressive mechanisms (CD8 cells, TH1 cells, other regulatory T cells and regulatory cytokines). (2)IgE cross-reactivity can be much more reliably assessed by a combination of in-silico homology searches and in vitro IgE antibody assays. The in-silico homology search is unlikely to miss potential cross-reactivity with sequenced allergens. So far, no biologically relevant cross-reactivity at the antibody level has been demonstrated between proteins without easily-demonstrable homology. (3)T cell cross-reactivity is much more difficult to predict compared to B cell cross-reactivity, and its effects are more diverse. Yet, pre-existing cross-reactive T cell activity is likely to influence the outcome not only of the immune response, but also of the effector phase of the allergic reaction.

  7. Controller Patterns for Component-based Reactive Control Software Systems

    E-Print Network [OSTI]

    Lau, Kung-Kiu

    Controller Patterns for Component-based Reactive Control Software Systems Petr Stepán, Kung-Kiu Lau Organization]: Special-Purpose and Application-Based Systems--Process control systems; D.2.2 [Software of the device they are embedded in, hence we call them reactive control systems. The general schema

  8. Abstract Interpretation of Reactive Systems DENNIS DAMS and ROB GERTH

    E-Print Network [OSTI]

    Grumberg, Orna

    Abstract Interpretation of Reactive Systems DENNIS DAMS and ROB GERTH Eindhoven University, formal methods, model checking, mu-calculus, reactive systems Correspondenceaddress: D. Dams, Dept;112 Dennis Dams et al. 1. INTRODUCTION In the model-checking approach Queille and Sifakis 1982 Clarke et al

  9. Abstract Interpretation of Reactive Systems DENNIS DAMS and ROB GERTH

    E-Print Network [OSTI]

    Dams, Dennis

    Abstract Interpretation of Reactive Systems DENNIS DAMS and ROB GERTH Eindhoven University, formal methods, model checking, mu­calculus, reactive systems Correspondence address: D. Dams, Dept; 112 \\Delta Dennis Dams et al. 1. INTRODUCTION In the model­checking approach [Queille and Sifakis 1982

  10. A REACTIVE APPROACH FOR MINING PROJECT EVALUATION UNDER PRICE UNCERTAINTY

    E-Print Network [OSTI]

    Duffy, Ken

    A REACTIVE APPROACH FOR MINING PROJECT EVALUATION UNDER PRICE UNCERTAINTY Meimei Zhang. This method often undervalues a mining project since it ignores future price uncertainty and does not allow on metal price. This paper also demonstrates that the "reactive" approach can estimate the mine project

  11. MARKETS FOR REACTIVE POWER AND RELIABILITY: A WHITE PAPER

    E-Print Network [OSTI]

    , including line and generator failures. This is the correct way, in terms of economics, to determine optimal to zero if optimal investment in reactive-power #12;3 sources (e.g., generators and reactive during contingencies, such as when failures occur, remain relatively low because of the low cost

  12. Reactive ion etched substrates and methods of making and using

    DOE Patents [OSTI]

    Rucker, Victor C. (San Francisco, CA); Shediac, Rene (Oakland, CA); Simmons, Blake A. (San Francisco, CA); Havenstrite, Karen L. (New York, NY)

    2007-08-07

    Disclosed herein are substrates comprising reactive ion etched surfaces and specific binding agents immobilized thereon. The substrates may be used in methods and devices for assaying or isolating analytes in a sample. Also disclosed are methods of making the reactive ion etched surfaces.

  13. Biodiesel Fuel Property Effects on Particulate Matter Reactivity

    SciTech Connect (OSTI)

    Williams, A.; Black, S.; McCormick, R. L.

    2010-06-01

    Controlling diesel particulate emissions to meet the 2007 U.S. standard requires the use of a diesel particulate filter (DPF). The reactivity of soot, or the carbon fraction of particulate matter, in the DPF and the kinetics of soot oxidation are important in achieving better control of aftertreatment devices. Studies showed that biodiesel in the fuel can increase soot reactivity. This study therefore investigated which biodiesel fuel properties impact reactivity. Three fuel properties of interest included fuel oxygen content and functionality, fuel aromatic content, and the presence of alkali metals. To determine fuel effects on soot reactivity, the performance of a catalyzed DPF was measured with different test fuels through engine testing and thermo-gravimetric analysis. Results showed no dependence on the aromatic content or the presence of alkali metals in the fuel. The presence and form of fuel oxygen was the dominant contributor to faster DPF regeneration times and soot reactivity.

  14. Regional respiratory tract absorption of inhaled reactive gases

    SciTech Connect (OSTI)

    Miller, F.J.; Overton, J.H.; Kimbell, J.S.; Russell, M.L.

    1992-06-29

    Highly reactive gases present unique problems due to the number of factors which must be taken into account to determine regional respiratory tract uptake. The authors reviewed some of the physical, chemical, and biological factors that affect dose and that must be understood to interpret toxicological data, to evaluate experimental dosimetry studies, and to develop dosimetry models. Selected dosimetry experiments involving laboratory animals and humans were discussed, showing the variability and uptake according to animal species and respiratory tract region for various reactive gases. New experimental dosimetry approaches, such as those involving isotope ratio mass spectroscopy and cyclotron generation reactive gases, were discussed that offer great promise for improving the ability to study regional respiratory tract absorption of reactive gases. Various dosimetry modeling applications were discussed which demonstrate: the importance of airflow patterns for site-specific dosimetry in the upper respiratory tract, the influence of the anatomical model used to make inter- and intraspecies dosimetric comparisons, the influence of tracheobronchial path length on predicted dose curves, and the implications of ventilatory unit structure and volume on dosimetry and response. Collectively, these examples illustrate important aspects of regional respiratory tract absorption of inhaled reactive gases. Given the complex nature of extent and pattern of injury in the respiratory tract from exposure to reactive gases, understanding interspecies differences in the absorption of reactive gases will continue to be an important area for study.

  15. Initial performance of the NEOWISE reactivation mission

    SciTech Connect (OSTI)

    Mainzer, A.; Bauer, J.; Masiero, J.; Eisenhardt, P.; Fabinsky, B.; Heinrichsen, I.; Liu, F. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States); Cutri, R. M.; Beck, R.; Conrow, T.; Dailey, J.; Fajardo-Acosta, S.; Fowler, J.; Gelino, C.; Grillmair, C.; Kirkpatrick, J. Davy; Masci, F. [Infrared Processing and Analysis Center, California Institute of Technology, Pasadena, CA 91125 (United States); Grav, T. [Planetary Science Institute, Tucson, AZ (United States); Clarkson, P.; Kendall, M., E-mail: amainzer@jpl.nasa.gov [Ball Aerospace and Technology Center, Boulder, CO (United States); and others

    2014-09-01

    NASA's Wide-field Infrared Survey Explorer (WISE) spacecraft has been brought out of hibernation and has resumed surveying the sky at 3.4 and 4.6 ?m. The scientific objectives of the NEOWISE reactivation mission are to detect, track, and characterize near-Earth asteroids and comets. The search for minor planets resumed on 2013 December 23, and the first new near-Earth object (NEO) was discovered 6 days later. As an infrared survey, NEOWISE detects asteroids based on their thermal emission and is equally sensitive to high and low albedo objects; consequently, NEOWISE-discovered NEOs tend to be large and dark. Over the course of its three-year mission, NEOWISE will determine radiometrically derived diameters and albedos for ?2000 NEOs and tens of thousands of Main Belt asteroids. The 32 months of hibernation have had no significant effect on the mission's performance. Image quality, sensitivity, photometric and astrometric accuracy, completeness, and the rate of minor planet detections are all essentially unchanged from the prime mission's post-cryogenic phase.

  16. Assessment of the Economic Potential of Microgrids for Reactive Power Supply

    E-Print Network [OSTI]

    Appen, Jan von

    2012-01-01

    of Commercial Building Microgrids,” IEEE Transactions onEconomic Potential of Microgrids for Reactive Power Supplyof creating an incentive for microgrids to provide reactive

  17. Effect of shape reactivity on the rod-ejection accident

    SciTech Connect (OSTI)

    Neogy, P.; Carew, J.F.

    1982-09-01

    The shape reactivity has a significant influence on the rod ejection accident. After the control rod is fully ejected from the core, the neutron flux undergoes a large reduction at the ejected rod location. The corresponding effect on the control reactivity is comparable in magnitude to the Doppler reactivity, and makes a significant contribution to limiting the power excursion during the transient. The neglect of this effect in point kinetics and space time synthesis analyses of the rod ejection accident may account in part for the large degree of conservatism usually associated with these analyses.

  18. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1987-10-27

    AMAX Research Development Center (AMAX R D) has been investigating methods for improving the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hog coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. The reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point in a bench-scale fixed-bed reactor. The durability may be defined as the ability of the sorbent to maintain its reactivity and other important physical characteristics such as size, strength, and specific surface area during 10 cycles of sulfidation and regeneration. Two base case sorbents, spherical pellets and cylindrical extrudes used in related METC sponsored projects, are being used to provide a basis for the comparison of physical characteristics and chemical reactivity.

  19. Reactive Oxygen Species Driven Angiogenesis by Inorganic Nanorods

    E-Print Network [OSTI]

    Patra, Chitta Ranjan

    The exact mechanism of angiogenesis by europium hydroxide nanorods was unclear. In this study we have showed that formation of reactive oxygen species (H2O2 and O2·?) is involved in redox signaling pathways during angiogenesis, ...

  20. Reactivity of ethylene oxide in contact with contaminants 

    E-Print Network [OSTI]

    Dinh, Linh Thi Thuy

    2009-05-15

    , such as isomerization, polymerization, hydrolysis, combustion and decomposition Due to its very reactive characteristic and widely industrial applications, EO has been involved in a number of serious incidents such as Doe Run 1962, Freeport 1974, Deer Park 1988...

  1. Towards Interactive Timing Analysis for Designing Reactive Systems

    E-Print Network [OSTI]

    : Medium: Timing Centric Software), and #0931843 (ActionWebs), the Naval Research Laboratory (NRL #N0013- action Time, Synchronous Languages, Precision Timed Machines, Sequential Constructiveness 1 Introduction reactive systems. Such systems typically interact with the physical environment by sensing, performing

  2. Conversion of carboxylate salts to carboxylic acids via reactive distillation 

    E-Print Network [OSTI]

    Williamson, Shelly Ann

    2000-01-01

    , municipal solid wastes, sewage sludge, and industrial biosludge. Using a proprietary technology owned by Texas A&M University the wastes are first treated with lime to enhance reactivity. Then they are converted to calcium carboxylate salts using a mixed...

  3. Highly reactive light-dependent monoterpenes in the Amazon

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jardine, A. B.; Jardine, K. J.; Fuentes, J. D.; Martin, S. T.; Martins, G.; Durgante, F.; Carneiro, V.; Higuchi, N.; Manzi, A. O.; Chambers, J. Q.

    2015-03-06

    Despite orders of magnitude difference in atmospheric reactivity and great diversity in biological functioning, little is known about monoterpene speciation in tropical forests. Here we report vertically resolved ambient air mixing ratios for 12 monoterpenes in a central Amazon rainforest including observations of the highly reactive cis-?-ocimene (160 ppt), trans-?-ocimene (79 ppt), and terpinolene (32 ppt) which accounted for an estimated 21% of total monoterpene composition yet 55% of the upper canopy monoterpene ozonolysis rate. All 12 monoterpenes showed a mixing ratio peak in the upper canopy, with three demonstrating subcanopy peaks in 7 of 11 profiles. Leaf level emissionsmore »of highly reactive monoterpenes accounted for up to 1.9% of photosynthesis confirming light-dependent emissions across several Amazon tree genera. These results suggest that highly reactive monoterpenes play important antioxidant roles during photosynthesis in plants and serve as near-canopy sources of secondary organic aerosol precursors through atmospheric photooxidation via ozonolysis.« less

  4. Towards Synthesis of Reactive & Robust Behavior Chains Amol D. Mali

    E-Print Network [OSTI]

    Mali, Amol D.

    Towards Synthesis of Reactive & Robust Behavior Chains Amol D. Mali Electrical Engg. & Computer Science, P.O.Box 784 University of Wisconsin, Milwaukee, Milwaukee, WI 53201, USA. e-mail: mali

  5. Comparison of Conventional Diesel and Reactivity Controlled Compressio...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    in a Light-Duty Engine CFD modeling was used to compare conventional diesel and dual-fuel Reactivity Controlled Compression Ignition combustion at US Tier 2 Bin 5 NOx...

  6. A NEW METHANOMETER WITHOUT ANY CALIBRATION Gerard ROSE

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    volt battery and takes only 0,08 ampere, giving long battery life, - no uncertainty of the reading;3/9 A new sensor and a new electrical conditioning technique The new catalytic sensor developed by INERIS for the electrical conditioning of the detector element, which cancels out the effects of changes in environmental

  7. A study of the macroscopic performance characteristics of a steady-state electromagnetic pump for an electrolyte 

    E-Print Network [OSTI]

    Beal, Charles Clarence

    1967-01-01

    . Power Supplies A Baldor, 110-volt, 60 cps, specification no. G152, D. C. vacuum tube rectifier was used for the electromagnet power supply (Figure 8). The current supplied was internally variable in seven steps from 10 to 50 amperes. An 8000...

  8. Feasibility of gate-turnoff thyristors in a high-voltage direct-current transmission system: Final report

    SciTech Connect (OSTI)

    McMurray, W.

    1987-08-01

    This study to identify potentially attractive applications for gate-turnoff thyristor (GTO) converters in utility systems includes both high-voltage direct-current (HVDC) valves and static volt-ampere reactive (VAR) controllers. The work includes a broad review of basic principles and the power circuit arrangements that are judged to be most attractive. The major differences between ordinary thyristors and GTO converters are discussed, including alternative HVDC transmission systems and static VAR controllers that are possible with GTOs. Whereas a current-source type of converter is the obvious choice with ordinary thyristors, the use of GTOs allows either current-source or voltage-source converters to be considered. A computer-aided analysis of the basic 6-pulse GTO current-source converter system is presented, including general equations for steady-state operation and plotting calculated waveforms. An analysis of a GTO voltage-source converter is given in less detail. Due to incomplete performance data, unresolved critical problems such as protection, and the disadvantages of higher cost, complexity and losses, it is difficult to recommend a specific GTO converter system at this time. The major advantage that GTO converters can offer is rapid and smoothly continuous control of reactive power. Further development of GTO converters should be aimed towards an application where reactive power control is very important and not readily achievable by conventional methods. 12 refs., 47 figs.

  9. Fuel reactivity effects on the efficiency and operational window of dual-fuel compression ignition engines

    SciTech Connect (OSTI)

    Splitter, Derek A [ORNL; Reitz, Rolf [University of Wisconsin

    2014-01-01

    Fuel reactivity effects on the efficiency and operational window of dual-fuel compression ignition engines

  10. Options for Control of Reactive Power by Distributed Photovoltaic Generators

    E-Print Network [OSTI]

    Sulc, Petr; Backhaus, Scott; Chertkov, Michael

    2010-01-01

    High penetration levels of distributed photovoltaic(PV) generation on an electrical distribution circuit present several challenges and opportunities for distribution utilities. Rapidly varying irradiance conditions may cause voltage sags and swells that cannot be compensated by slowly responding utility equipment resulting in a degradation of power quality. Although not permitted under current standards for interconnection of distributed generation, fast-reacting, VAR-capable PV inverters may provide the necessary reactive power injection or consumption to maintain voltage regulation under difficult transient conditions. As side benefit, the control of reactive power injection at each PV inverter provides an opportunity and a new tool for distribution utilities to optimize the performance of distribution circuits, e.g. by minimizing thermal losses. We discuss and compare via simulation various design options for control systems to manage the reactive power generated by these inverters. An important design de...

  11. Effect of superbanana diffusion on fusion reactivity in stellarators

    SciTech Connect (OSTI)

    Hinton, Fred L. [Center for Astrophysics and Space Sciences, University of California, San Diego, La Jolla, California 92093-0424 (United States)

    2012-08-15

    Fusion reactivity is usually obtained using a Maxwellian distribution. However, energy-dependent radial diffusion can modify the energy distribution. Superbanana diffusion is energy-dependent and occurs in nonaxisymmetric magnetic confinement devices, such as stellarators, because of ripple-trapped particles which can take large steps between collisions. In this paper, the D-T fusion reactivity is calculated using a non-Maxwellian energy distribution obtained by solving the Fokker-Planck equation numerically, including radial superbanana diffusion as well as energy scattering. The ions in the tail of the distribution, with energies larger than thermal, which are most needed for fusion, are depleted by superbanana diffusion. In this paper, it is shown that the D-T fusion reactivity is reduced by tail ion depletion due to superbanana diffusion, by roughly a factor of 0.5 for the parameters used in the calculation.

  12. Method and apparatus for measuring reactivity of fissile material

    DOE Patents [OSTI]

    Lee, D.M.; Lindquist, L.O.

    1982-09-07

    Given are a method and apparatus for measuring nondestructively and noninvasively (i.e., using no internal probing) the burnup, reactivity, or fissile content of any material which emits neutrons and which has fissionable components. The assay is accomplished by altering the return flux of neutrons into the fuel assembly by means of changing the reflecting material. The existing passive neutron emissions in the material being assayed are used as the source of interrogating neutrons. Two measurements of either emitted neutron or emitted gamma-ray count rates are made and are then correlated to either reactivity, burnup, or fissionable content of the material being assayed, thus providing a measurement of either reactivity, burnup, or fissionable content of the material being assayed. Spent fuel which has been freshly discharged from a reactor can be assayed using this method and apparatus. Precisions of 1000 MWd/tU appear to be feasible.

  13. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1989-05-02

    AMAX Research Development Center (AMAX R D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  14. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1988-11-14

    AMAX Research Development Center (AMAX R D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  15. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1989-03-06

    AMAX Research Development Center (AMAX R D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  16. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1988-08-19

    AMAX Research Development Center (AMAX R D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  17. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Baltich, L.K.; Berggren, M.H.

    1987-05-18

    AMAX Research Development Center (AMAX R D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  18. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Baltich, L.K.; Berggren, M.H.

    1987-08-28

    AMAX Research Development Center (AMAX R D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  19. Increasing Class C fly ash reduces alkali silica reactivity

    SciTech Connect (OSTI)

    Hicks, J.K.

    2007-07-01

    Contrary to earlier studies, it has been found that incremental additions of Class C fly ash do reduce alkali silica reactivity (ASR), in highly reactive, high alkali concrete mixes. AST can be further reduced by substituting 5% metakaolin or silica fume for the aggregate in concrete mixes with high (more than 30%) Class C fly ash substitution. The paper reports results of studies using Class C fly ash from the Labadie Station plant in Missouri which typically has between 1.3 and 1.45% available alkalis by ASTM C311. 7 figs.

  20. The relative reactivity of formic esters with aromatic amines

    E-Print Network [OSTI]

    Markley, Max C.

    1922-01-01

    at 100° are as follows- Ester used Percent yield Methyl formate ' 3% Ethyl M 81 Propyl " 92 Butyl " 80 Sec,octyl n 10 ( 15 ) PROPYL P OREATE W ITH SEVERAL A MINES The next move was to secure data on the relative reactivity of the amines... at 100° are as follows- Ester used Percent yield Methyl formate ' 3% Ethyl M 81 Propyl " 92 Butyl " 80 Sec,octyl n 10 ( 15 ) PROPYL P OREATE W ITH SEVERAL A MINES The next move was to secure data on the relative reactivity of the amines...

  1. Melting Alpine Glaciers Enrich High-Elevation Lakes with Reactive

    E-Print Network [OSTI]

    Wolfe, Alexander P.

    melt alone (SF lakes) and those fed by both glacial and snowpack meltwaters (GSF lakes). We foundMelting Alpine Glaciers Enrich High-Elevation Lakes with Reactive Nitrogen J A S M I N E E . S A R century in many regions of the world. Resulting changes in glacial runoff not only affect the hydrological

  2. Towards Energy-Efficient Reactive Thermal Management in Instrumented Datacenters

    E-Print Network [OSTI]

    Pompili, Dario

    Towards Energy-Efficient Reactive Thermal Management in Instrumented Datacenters Ivan Rodero, Eun techniques used to alleviate thermal anomalies (i.e., hotspots) in cloud datacenter's servers of by reducing such as voltage scaling that also can be applied to reduce the temperature of the servers in datacenters. Because

  3. Reactive Power Compensation Technologies, State-of-the-Art Review

    E-Print Network [OSTI]

    Catholic University of Chile (Universidad Católica de Chile)

    is generally required to reduce voltage fluctuation at a given terminal of a transmission line. Reactive power electrical characteristics of ac power systems. Series compensation modifies the transmission or distribution at all levels of power transmission, it improves HVDC (High Voltage Direct Current) conversion terminal

  4. Neutron economic reactivity control system for light water reactors

    DOE Patents [OSTI]

    Luce, Robert G. (Glenville, NY); McCoy, Daniel F. (Latham, NY); Merriman, Floyd C. (Rotterdam, NY); Gregurech, Steve (Scotia, NY)

    1989-01-01

    A neutron reactivity control system for a LWBR incorporating a stationary seed-blanket core arrangement. The core arrangement includes a plurality of contiguous hexagonal shaped regions. Each region has a central and a peripheral blanket area juxapositioned an annular seed area. The blanket areas contain thoria fuel rods while the annular seed area includes seed fuel rods and movable thoria shim control rods.

  5. Fe(III) Oxide Reactivity Toward Biological versus Chemical

    E-Print Network [OSTI]

    Roden, Eric E.

    size, surface area, and solubility of the mineral. Such variations lead to a continuum of Fe(III) oxideFe(III) Oxide Reactivity Toward Biological versus Chemical Reduction E R I C E . R O D E N of synthetic Fe(III) oxides with a broad range of crystallinity and specific surface area were examined

  6. Nutritional regulation of neural stem cell reactivation in Drosophila melanogaster

    E-Print Network [OSTI]

    Liu, Jun

    2015-06-09

    to proliferation in both systems (Groszer et al. , 2001, 2006; Peltier et al. , 2007). Exploiting powerful genetic tools that are available in Drosophila led to the recent dis- covery that NSCs reactivate via a fat body and glial cell relay (Figure 1...

  7. Local control of reactive power by distributed photovoltaic generators

    SciTech Connect (OSTI)

    Chertkov, Michael; Turitsyn, Konstantin; Sulc, Petr; Backhaus, Scott

    2010-01-01

    High penetration levels of distributed photovoltaic (PV) generation on an electrical distribution circuit may severely degrade power quality due to voltage sags and swells caused by rapidly varying PV generation during cloud transients coupled with the slow response of existing utility compensation and regulation equipment. Although not permitted under current standards for interconnection of distributed generation, fast-reacting, VAR-capable PV inverters may provide the necessary reactive power injection or consumption to maintain voltage regulation under difficult transient conditions. As side benefit, the control of reactive power injection at each PV inverter provides an opportunity and a new tool for distribution utilities to optimize the performance of distribution circuits, e.g. by minimizing thermal losses. We suggest a local control scheme that dispatches reactive power from each PV inverter based on local instantaneous measurements of the real and reactive components of the consumed power and the real power generated by the PVs. Using one adjustable parameter per circuit, we balance the requirements on power quality and desire to minimize thermal losses. Numerical analysis of two exemplary systems, with comparable total PV generation albeit a different spatial distribution, show how to adjust the optimization parameter depending on the goal. Overall, this local scheme shows excellent performance; it's capable of guaranteeing acceptable power quality and achieving significant saving in thermal losses in various situations even when the renewable generation in excess of the circuit own load, i.e. feeding power back to the higher-level system.

  8. Neural reactivation links unconscious thought to decision-making performance

    E-Print Network [OSTI]

    Creswell, J. David

    Neural reactivation links unconscious thought to decision-making performance John David Creswell,1 of Psychology, Northeastern University, 360 Huntington Ave, Boston, MA 02115, USA Brief periods of unconscious-making performance after the UT period. These results provide initial evidence for post-encoding unconscious neural

  9. On-Road Emission Measurements of Reactive Nitrogen Compounds from

    E-Print Network [OSTI]

    Denver, University of

    - equippedvehiclesarenotbelievedtobesignificant(1).Oxides of nitrogen (NOx) emission rates from light-duty gasoline vehicles have been shown to be rapidly decreasing across the United States, but total NOx emissions are decreasing at a slower rate dueOn-Road Emission Measurements of Reactive Nitrogen Compounds from Three California Cities G A R Y

  10. Photochemical Reactivity of Graphene Haitao Liu, Sunmin Ryu,

    E-Print Network [OSTI]

    semiconductor. A recent study showed that photoge- nerated carriers in graphene first equilibrate amongPhotochemical Reactivity of Graphene Haitao Liu, Sunmin Ryu, Zheyuan Chen, Michael L. Steigerwald a photochemical reaction between graphene and benzoyl peroxide. The reaction introduces spatially localized

  11. EULERIANLAGRANGIAN LOCALIZED ADJOINT METHODS FOR REACTIVE TRANSPORT IN GROUNDWATER \\Lambda

    E-Print Network [OSTI]

    Ewing, Richard E.

    EULERIAN­LAGRANGIAN LOCALIZED ADJOINT METHODS FOR REACTIVE TRANSPORT IN GROUNDWATER \\Lambda RICHARD in groundwater flowing through an adsorbing porous medium. These ELLAM schemes are developed for various and discussed. x1. Introduction. In recent years, the contamination and pollution of groundwater resources have

  12. Dynamic Reactive Power Control of Isolated Power Systems 

    E-Print Network [OSTI]

    Falahi, Milad

    2012-10-03

    or due to a fault. Isolated power systems experience fast transients due to lack of an infinite bus capable of dictating the voltage and frequency reference. This dissertation only focuses on reactive control of islanded MicroGrids and AC/DC shipboard...

  13. Supporting Information Reactive processing of formaldehyde and acetaldehyde in aqueous

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    S1 Supporting Information Reactive processing of formaldehyde and acetaldehyde in aqueous aerosol: Acetaldehyde; Form: Formaldehyde #12;S2 Density functional theory calculations of paraformaldehyde ionization+ of atomized solutions of 1 M formaldehyde in 3.1 M AS. m/z (amu) ± 1.0 amu Ion Formula Molecular Formula

  14. Field, Laboratory, and Modeling Study of Reactive Transport of

    E-Print Network [OSTI]

    University of New York, Flushing, New York 11367, Department of Marine Chemistry and Geochemistry, Woods Hole Bay, MA, shed light on coupled control of chemistry and hydrology on reactive transport), phosphate (5), and oxyanions of molybdenum (6) and uranium (7, 8) in aquifers. In addition

  15. Reactive Stochastic Local Search Algorithms for the Genomic Median Problem

    E-Print Network [OSTI]

    Wolf, Christian

    Reactive Stochastic Local Search Algorithms for the Genomic Median Problem Renaud Lenne1 5558, Universit´e de Lyon 1, France eric.tannier@inria.fr Abstract. The genomic median problem of the common ancestor to multiple living species. It is formulated as the search for a genome that minimizes

  16. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Berggren, M.H.; Jha, M.C.

    1989-10-01

    AMAX Research Development Center (AMAX R D) investigated methods for enhancing the reactivity and durability of zinc ferrite desulfurization sorbents. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For this program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such as size, strength, and specific surface area during 10 cycles of sulfidation and oxidation. Two base case sorbents, a spherical pellet and a cylindrical extrude used in related METC-sponsored projects, were used to provide a basis for the aimed enhancement in durability and reactivity. Sorbent performance was judged on the basis of physical properties, single particle kinetic studies based on thermogravimetric (TGA) techniques, and multicycle bench-scale testing of sorbents. A sorbent grading system was utilized to quantify the characteristics of the new sorbents prepared during the program. Significant enhancements in both reactivity and durability were achieved for the spherical pellet shape over the base case formulation. Overall improvements to reactivity and durability were also made to the cylindrical extrude shape. The primary variables which were investigated during the program included iron oxide type, zinc oxide:iron oxide ratio, inorganic binder concentration, organic binder concentration, and induration conditions. The effects of some variables were small or inconclusive. Based on TGA studies and bench-scale tests, induration conditions were found to be very significant.

  17. A Two-level Prediction Model for Deep Reactive Ion Etch (DRIE)

    E-Print Network [OSTI]

    Taylor, Hayden K.

    We contribute a quantitative and systematic model to capture etch non-uniformity in deep reactive ion etch of microelectromechanical systems (MEMS) devices. Deep reactive ion etch is commonly used in MEMS fabrication where ...

  18. Pollution-enhanced reactive chlorine chemistry in the eastern tropical Atlantic boundary layer

    E-Print Network [OSTI]

    2009-01-01

    doi:10.1029/2008GL036666, 2009 Pollution-enhanced reactiveE. S. Saltzman (2009), Pollution-enhanced reactive chlorine5 L08810 LAWLER ET AL. : POLLUTION-ENHANCED CLX IN THE MBL

  19. A Reactive Force Field study of Li/C Systems for Electrical Energy...

    Office of Scientific and Technical Information (OSTI)

    A Reactive Force Field study of LiC Systems for Electrical Energy Storage Citation Details In-Document Search Title: A Reactive Force Field study of LiC Systems for Electrical...

  20. Reactive greenhouse gas scenarios: Systematic exploration of uncertainties and the role of atmospheric chemistry

    E-Print Network [OSTI]

    Holmes, Christopher D.

    Reactive greenhouse gas scenarios: Systematic exploration of uncertainties and the role chemistry of reactive greenhouse gases is needed to accurately quantify the relationship between human activities and climate, and to incorporate uncertainty in our projections of greenhouse gas abundances. We

  1. Characterization of Dual-Fuel Reactivity Controlled Compression Ignition (RCCI) Using Hydrated Ethanol and Diesel Fuel

    Broader source: Energy.gov [DOE]

    This study uses numerical simulations to explore the use of wet ethanol as the low-reactivity fuel and diesel as the high-reactivity fuel for RCCI operation in a heavy-duty diesel engine.

  2. AVTA: 2012 Chevrolet Volt PHEV Downloadable Dynamometer Database Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  3. Some operating features of a 100,000-volt transmission

    E-Print Network [OSTI]

    Jones, Raymond

    1914-03-17

    SWITCHES TO D.C. GIN. TO POT. TRAWTS. TO CUR.TRANA o w RES. S H U N T OSCILLOGRAPH CIRCUIT'S COLORADO POWER COMPANY 3HOSHONE LINE TEST MAY I 1310 35 • In addition to these oscillograph circuits, I have in- cluded below a diagram of the connections.... Lowering of dielectric strength. G. Protective devices - - Page 22. a. Grounded guard wires. b. Reverse current relays. c. Aluminum arresters. d. Grounding switches. e. Tower discharge gaps. (3) Operating difficulties - - - - - - Page 25* A...

  4. SeaVolt Technologies formerly Sea Power Associates | Open Energy

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page onRAPID/Geothermal/Exploration/ColoradoRemsenburg-Speonk,SageScheuco InternationalScottScripps Channel 1for

  5. The Department of Energy's Innovation in GM's Chevrolet Volt | Department

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious RankADVANCEDInstallers/ContractorsPhotovoltaicsState of Pennsylvania OAS-RA-L-11-11 September

  6. Sandia Energy - HelioVolt Modules Installed at RTC Sites

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home RoomPreservation of Fe(II)Geothermal Energy & Drilling TechnologyHeavy Duty HomeHeavy

  7. Chevy Volt Electrifies DOE Headquarters | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustmentsShirleyEnergy A plug-in electric vehicle (PEV) charging station in Rhode Island. |MoreitCherry

  8. NOTES ON THE KIVA-II SOFTWARE AND CHEMICALLY REACTIVE FLUID MECHANICS

    E-Print Network [OSTI]

    Holst, Michael J.

    NOTES ON THE KIVA-II SOFTWARE AND CHEMICALLY REACTIVE FLUID MECHANICS MICHAEL J. HOLST Numerical, California #12;NOTES ON THE KIVA-II SOFTWARE AND CHEMICALLY REACTIVE FLUID MECHANICS Michael J. Holst intro- duction to continuum mechanics, to fluid mechanics, and to the mechanics of chemically reactive

  9. Selective Monoterpene-like Cyclization Reactions Achieved by Water Exclusion from Reactive Intermediates in a Supramolecular Catalyst

    E-Print Network [OSTI]

    Hart-Cooper, William

    2014-01-01

    9  has  been  observed when water is absent.   (31)  For the  exclusion  of  water  from  reactive  intermediates Reactions Achieved by Water Exclusion from Reactive

  10. Catalytic destruction of groundwater contaminants in reactive extraction wells

    DOE Patents [OSTI]

    McNab, Jr., Walt W. (Concord, CA); Reinhard, Martin (Stanford, CA)

    2002-01-01

    A system for remediating groundwater contaminated with halogenated solvents, certain metals and other inorganic species based on catalytic reduction reactions within reactive well bores. The groundwater treatment uses dissolved hydrogen as a reducing agent in the presence of a metal catalyst, such a palladium, to reduce halogenated solvents (as well as other substituted organic compounds) to harmless species (e.g., ethane or methane) and immobilize certain metals to low valence states. The reactive wells function by removing water from a contaminated water-bearing zone, treating contaminants with a well bore using catalytic reduction, and then reinjecting the treated effluent into an adjacent water-bearing zone. This system offers the advantages of a compact design with a minimal surface footprint (surface facilities) and the destruction of a broad suite of contaminants without generating secondary waste streams.

  11. Solid polymer battery electrolyte and reactive metal-water battery

    DOE Patents [OSTI]

    Harrup, Mason K. (Idaho Falls, ID); Peterson, Eric S. (Idaho Falls, ID); Stewart, Frederick F. (Idaho Falls, ID)

    2000-01-01

    In one implementation, a reactive metal-water battery includes an anode comprising a metal in atomic or alloy form selected from the group consisting of periodic table Group 1A metals, periodic table Group 2A metals and mixtures thereof. The battery includes a cathode comprising water. Such also includes a solid polymer electrolyte comprising a polyphosphazene comprising ligands bonded with a phosphazene polymer backbone. The ligands comprise an aromatic ring containing hydrophobic portion and a metal ion carrier portion. The metal ion carrier portion is bonded at one location with the polymer backbone and at another location with the aromatic ring containing hydrophobic portion. The invention also contemplates such solid polymer electrolytes use in reactive metal/water batteries, and in any other battery.

  12. Engine combustion control at low loads via fuel reactivity stratification

    DOE Patents [OSTI]

    Reitz, Rolf Deneys; Hanson, Reed M; Splitter, Derek A; Kokjohn, Sage L

    2014-10-07

    A compression ignition (diesel) engine uses two or more fuel charges during a combustion cycle, with the fuel charges having two or more reactivities (e.g., different cetane numbers), in order to control the timing and duration of combustion. By appropriately choosing the reactivities of the charges, their relative amounts, and their timing, combustion can be tailored to achieve optimal power output (and thus fuel efficiency), at controlled temperatures (and thus controlled NOx), and with controlled equivalence ratios (and thus controlled soot). At low load and no load (idling) conditions, the aforementioned results are attained by restricting airflow to the combustion chamber during the intake stroke (as by throttling the incoming air at or prior to the combustion chamber's intake port) so that the cylinder air pressure is below ambient pressure at the start of the compression stroke.

  13. An Inherited Heteroplasmic Mutation in Mitochondrial Gene COI in a Patient with Prostate Cancer Alters Reactive Oxygen, Reactive Nitrogen and Proliferation

    E-Print Network [OSTI]

    2013-01-01

    reactive nitrogen species (RNS). 2. Materials and MethodsAssay for ROS and RNS. Peroxides Assay: Lymphoblasts werebelow (“Cybrid ROS and RNS”). 3.4. Cybrid Generation. In

  14. Reactive Distillation for Esterification of Bio-based Organic Acids

    SciTech Connect (OSTI)

    Fields, Nathan; Miller, Dennis J.; Asthana, Navinchandra S.; Kolah, Aspi K.; Vu, Dung; Lira, Carl T.

    2008-09-23

    The following is the final report of the three year research program to convert organic acids to their ethyl esters using reactive distillation. This report details the complete technical activities of research completed at Michigan State University for the period of October 1, 2003 to September 30, 2006, covering both reactive distillation research and development and the underlying thermodynamic and kinetic data required for successful and rigorous design of reactive distillation esterification processes. Specifically, this project has led to the development of economical, technically viable processes for ethyl lactate, triethyl citrate and diethyl succinate production, and on a larger scale has added to the overall body of knowledge on applying fermentation based organic acids as platform chemicals in the emerging biorefinery. Organic acid esters constitute an attractive class of biorenewable chemicals that are made from corn or other renewable biomass carbohydrate feedstocks and replace analogous petroleum-based compounds, thus lessening U.S. dependence on foreign petroleum and enhancing overall biorefinery viability through production of value-added chemicals in parallel with biofuels production. Further, many of these ester products are candidates for fuel (particularly biodiesel) components, and thus will serve dual roles as both industrial chemicals and fuel enhancers in the emerging bioeconomy. The technical report from MSU is organized around the ethyl esters of four important biorenewables-based acids: lactic acid, citric acid, succinic acid, and propionic acid. Literature background on esterification and reactive distillation has been provided in Section One. Work on lactic acid is covered in Sections Two through Five, citric acid esterification in Sections Six and Seven, succinic acid in Section Eight, and propionic acid in Section Nine. Section Ten covers modeling of ester and organic acid vapor pressure properties using the SPEAD (Step Potential Equilibrium and Dynamics) method.

  15. Point kinetics calculations with fully coupled thermal fluids reactivity feedback

    SciTech Connect (OSTI)

    Zhang, H.; Zou, L.; Andrs, D.; Zhao, H.; Martineau, R.

    2013-07-01

    The point kinetics model has been widely used in the analysis of the transient behavior of a nuclear reactor. In the traditional nuclear reactor system safety analysis codes such as RELAP5, the reactivity feedback effects are calculated in a loosely coupled fashion through operator splitting approach. This paper discusses the point kinetics calculations with the fully coupled thermal fluids and fuel temperature feedback implemented into the RELAP-7 code currently being developed with the MOOSE framework. (authors)

  16. Options for Control of Reactive Power by Distributed Photovoltaic Generators

    E-Print Network [OSTI]

    Petr Sulc; Konstantin Turitsyn; Scott Backhaus; Michael Chertkov

    2010-08-04

    High penetration levels of distributed photovoltaic(PV) generation on an electrical distribution circuit present several challenges and opportunities for distribution utilities. Rapidly varying irradiance conditions may cause voltage sags and swells that cannot be compensated by slowly responding utility equipment resulting in a degradation of power quality. Although not permitted under current standards for interconnection of distributed generation, fast-reacting, VAR-capable PV inverters may provide the necessary reactive power injection or consumption to maintain voltage regulation under difficult transient conditions. As side benefit, the control of reactive power injection at each PV inverter provides an opportunity and a new tool for distribution utilities to optimize the performance of distribution circuits, e.g. by minimizing thermal losses. We discuss and compare via simulation various design options for control systems to manage the reactive power generated by these inverters. An important design decision that weighs on the speed and quality of communication required is whether the control should be centralized or distributed (i.e. local). In general, we find that local control schemes are capable for maintaining voltage within acceptable bounds. We consider the benefits of choosing different local variables on which to control and how the control system can be continuously tuned between robust voltage control, suitable for daytime operation when circuit conditions can change rapidly, and loss minimization better suited for nighttime operation.

  17. Reactivity transients during a blowdown in a MSIV closure ATWS

    SciTech Connect (OSTI)

    Cheng, H.S.; Diamond, D.J. (Brookhaven National Lab., Upton, NY (USA))

    1988-01-01

    Anticipated transients without scram (ATWS) events have received considerable attention in the past and are still a subject of great interest in severe-accident analysis. Of special interest is the effect of the low-pressure emergency core cooling system (ECCS) on the plant response following a blowdown by the automatic depressurization system (ADS). There is a potential for positive reactivity insertion due to the cold water injection of the low-pressure coolant injection (LPCI) system and the low-pressure core spray system in a boiling water reactor (BWR)/4. The main concern is whether a power excursion and pressure oscillation can occur in such an event. Furthermore, since thermal-hydraulic feedback plays an important role in these accidents, the uncertainty of the reactivity feedback coefficients used can impact the outcome of the analysis for such a power excursion. The objectives of the work reported in this paper are to study the consequences of the reactivity transients during a blowdown in an ATWS event with closure of the main steam isolation valves (MSIVs) and to evaluate the effect of the LPCI system and the sensitivity of plant response to the feedback coefficients. This work was performed with the Brookhaven National Laboratory plant analyzer.

  18. Ionic Liquids: Radiation Chemistry, Solvation Dynamics and Reactivity Patterns

    SciTech Connect (OSTI)

    Wishart, J.F.

    2011-06-12

    Ionic liquids (ILs) are a rapidly expanding family of condensed-phase media with important applications in energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs generally have low volatilities and are combustion-resistant, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of primary radiation chemistry, charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of reactions and product distributions. We study these issues by characterization of primary radiolysis products and measurements of their yields and reactivity, quantification of electron solvation dynamics and scavenging of electrons in different states of solvation. From this knowledge we wish to learn how to predict radiolytic mechanisms and control them or mitigate their effects on the properties of materials used in nuclear fuel processing, for example, and to apply IL radiation chemistry to answer questions about general chemical reactivity in ionic liquids that will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that the slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increase the importance of pre-solvated electron reactivity and consequently alter product distributions and subsequent chemistry. This difference from conventional solvents has profound effects on predicting and controlling radiolytic yields, which need to be quantified for the successful use under radiolytic conditions. Electron solvation dynamics in ILs are measured directly when possible and estimated using proxies (e.g. coumarin-153 dynamic emission Stokes shifts or benzophenone anion solvation) in other cases. Electron reactivity is measured using ultrafast kinetics techniques for comparison with the solvation process.

  19. Wet oxidation of high-concentration reactive dyes

    SciTech Connect (OSTI)

    Chen, G.; Lei, L.; Yue, P.L.

    1999-05-01

    Advanced oxidation methods were used to degrade reactive dyes at high concentrations in aqueous solutions. Wet peroxide oxidation (WPO) was found to be the best method in terms of the removal of color and total organic carbon (TOC). Reactive blue (Basilen Brilliant Blue P-3R) was chosen as a model dye for determining the suitable reaction conditions. The variables studied include reaction temperature, H{sub 2}O{sub 2} dosage, solution pH, dye concentration, and catalyst usage. The removal of TOC and color by wet oxidation is very sensitive to the reaction temperature. At 150 C, the removal of 77% TOC and 90% color was obtained in less than 30 min. The initial TOC removal rate is proportional to the H{sub 2}O{sub 2} dosage. The TOC removal is insignificant even when 50% of the stoichiometric amount of H{sub 2}O{sub 2} is used. No color change is observed until the dosage of H{sub 2}O{sub 2} is 100% of the stoichiometric amount. The color removal is closely related to TOC removal. When the pH of the solution is adjusted to 3.5, the dye degradation rate increases significantly. The rates of TOC and color removal are enhanced by using a Cu{sup 2+} catalyst. Another four reactive dyes, Procion Red PX-4B, Cibacron Yellow P-6GS, Cibacron Brown P-6R, and Procion Black PX-2R, were treated at 150 C using WPO. More than 80% TOC was removed from the solution in less than 15 min. The process can remove the colors of al these dyes except Procion Black PX-2R.

  20. Reactive multilayer synthesis of hard ceramic foils and films

    DOE Patents [OSTI]

    Makowiecki, Daniel M. (Livermore, CA); Holt, Joseph B. (San Jose, CA)

    1996-01-01

    A method for synthesizing hard ceramic materials such as carbides, borides nd aluminides, particularly in the form of coatings provided on another material so as to improve the wear and abrasion performance of machine tools, for example. The method involves the sputter deposition of alternating layers of reactive metals with layers of carbon, boron, or aluminum and the subsequent reaction of the multilayered structure to produce a dense crystalline ceramic. The material can be coated on a substrate or formed as a foil which can be coild as a tape for later use.

  1. Method for preparing hydride configurations and reactive metal surfaces

    DOE Patents [OSTI]

    Silver, Gary L. (Centerville, OH)

    1988-08-16

    A method for preparing highly hydrogen-reactive surfaces on metals which normally require substantial heating, high pressures, or an extended induction period, which involves pretreatment of said surfaces with either a non-oxidizing acid or hydrogen gas to form a hydrogen-bearing coating on said surfaces, and subsequently heating said coated metal in the absence of moisture and oxygen for a period sufficient to decompose said coating and cooling said metal to room temperature. Surfaces so treated will react almost instantaneously with hydrogen gas at room temperature and low pressure. The method is particularly applicable to uranium, thorium, and lanthanide metals.

  2. Hanford ferrocyanide reactivity: Effects of other tank constituents

    SciTech Connect (OSTI)

    Scheele, R.D.; Burger, L.L.; Tingey, J.M.; Johnston, J.W.; Sell, R.L.

    1993-04-01

    This paper presents results of studies using synthetic chemicals to determine the effect of other potential waste constituents on the reactivity and explosivity of Hanford ferrocyanide wastes. These studies have shown that either individually or in combination some of the tested additives (sodium ethylenediaminetetraacetate and the hydroxide precipitates of iron (III), chromium (III), and nickel] can at a concentration of 0.03 mole/mole ferrocyanide reduce the time to explosion of a near-stoichiometric mixture of sodium nickel ferrocyanide and equimolar sodium nitrate and nitrite. These studies also found no reduction in observed minimum explosion temperature of 293{degrees}C.

  3. DOE - Office of Legacy Management -- Reactive Metals Inc - OH 10

    Office of Legacy Management (LM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefield Municipal Gas &SCE-SessionsSouth Dakota Edgemont,Manufacturing0-19Rulison - COQueenReactive

  4. Hybrid nuclear reactor grey rod to obtain required reactivity worth

    DOE Patents [OSTI]

    Miller, John V. (Munhall, PA); Carlson, William R. (Scott Township, Allegheny County, PA); Yarbrough, Michael B. (Hempfield Township, Westmoreland County, PA)

    1991-01-01

    Hybrid nuclear reactor grey rods are described, wherein geometric combinations of relatively weak neutron absorber materials such as stainless steel, zirconium or INCONEL, and relatively strong neutron absorber materials, such as hafnium, silver-indium cadmium and boron carbide, are used to obtain the reactivity worths required to reach zero boron change load follow. One embodiment includes a grey rod which has combinations of weak and strong neutron absorber pellets in a stainless steel cladding. The respective pellets can be of differing heights. A second embodiment includes a grey rod with a relatively thick stainless steel cladding receiving relatively strong neutron absorber pellets only. A third embodiment includes annular relatively weak netron absorber pellets with a smaller diameter pellet of relatively strong absorber material contained within the aperture of each relatively weak absorber pellet. The fourth embodiment includes pellets made of a homogeneous alloy of hafnium and a relatively weak absorber material, with the percentage of hafnium chosen to obtain the desired reactivity worth.

  5. Composite Materials for Hazard Mitigation of Reactive Metal Hydrides.

    SciTech Connect (OSTI)

    Pratt, Joseph William; Cordaro, Joseph Gabriel; Sartor, George B.; Dedrick, Daniel E.; Reeder, Craig L.

    2012-02-01

    In an attempt to mitigate the hazards associated with storing large quantities of reactive metal hydrides, polymer composite materials were synthesized and tested under simulated usage and accident conditions. The composites were made by polymerizing vinyl monomers using free-radical polymerization chemistry, in the presence of the metal hydride. Composites with vinyl-containing siloxane oligomers were also polymerized with and without added styrene and divinyl benzene. Hydrogen capacity measurements revealed that addition of the polymer to the metal hydride reduced the inherent hydrogen storage capacity of the material. The composites were found to be initially effective at reducing the amount of heat released during oxidation. However, upon cycling the composites, the mitigating behavior was lost. While the polymer composites we investigated have mitigating potential and are physically robust, they undergo a chemical change upon cycling that makes them subsequently ineffective at mitigating heat release upon oxidation of the metal hydride. Acknowledgements The authors would like to thank the following people who participated in this project: Ned Stetson (U.S. Department of Energy) for sponsorship and support of the project. Ken Stewart (Sandia) for building the flow-through calorimeter and cycling test stations. Isidro Ruvalcaba, Jr. (Sandia) for qualitative experiments on the interaction of sodium alanate with water. Terry Johnson (Sandia) for sharing his expertise and knowledge of metal hydrides, and sodium alanate in particular. Marcina Moreno (Sandia) for programmatic assistance. John Khalil (United Technologies Research Corp) for insight into the hazards of reactive metal hydrides and real-world accident scenario experiments. Summary In an attempt to mitigate and/or manage hazards associated with storing bulk quantities of reactive metal hydrides, polymer composite materials (a mixture of a mitigating polymer and a metal hydride) were synthesized and tested under simulated usage and accident conditions. Mitigating the hazards associated with reactive metal hydrides during an accident while finding a way to keep the original capability of the active material intact during normal use has been the focus of this work. These composites were made by polymerizing vinyl monomers using free-radical polymerization chemistry, in the presence of the metal hydride, in this case a prepared sodium alanate (chosen as a representative reactive metal hydride). It was found that the polymerization of styrene and divinyl benzene could be initiated using AIBN in toluene at 70 degC. The resulting composite materials can be either hard or brittle solids depending on the cross-linking density. Thermal decomposition of these styrene-based composite materials is lower than neat polystyrene indicating that the chemical nature of the polymer is affected by the formation of the composite. The char-forming nature of cross-linked polystyrene is low and therefore, not an ideal polymer for hazard mitigation. To obtain composite materials containing a polymer with higher char-forming potential, siloxane-based monomers were investigated. Four vinyl-containing siloxane oligomers were polymerized with and without added styrene and divinyl benzene. Like the styrene materials, these composite materials exhibited thermal decomposition behavior significantly different than the neat polymers. Specifically, the thermal decomposition temperature was shifted approximately 100 degC lower than the neat polymer signifying a major chemical change to the polymer network. Thermal analysis of the cycled samples was performed on the siloxane-based composite materials. It was found that after 30 cycles the siloxane-containing polymer composite material has similar TGA/DSC-MS traces as the virgin composite material indicating that the polymer is physically intact upon cycling. Hydrogen capacity measurements revealed that addition of the polymer to the metal hydride in the form of a composite material reduced the inherent hydrogen storage capacity of the material. This

  6. Reactive-coupling-induced normal mode splittings in microdisk resonators coupled to waveguides

    SciTech Connect (OSTI)

    Huang Sumei; Agarwal, G. S. [Department of Physics, Oklahoma State University, Stillwater, Oklahoma 74078 (United States)

    2010-05-15

    We study the optomechanical design introduced by M. Li et al. [Phys. Rev. Lett. 103, 223901 (2009)], which is very effective for investigation of the effects of reactive coupling. We show the normal mode splitting that is due solely to reactive coupling rather than due to dispersive coupling. We suggest feeding the waveguide with a pump field along with a probe field and scanning the output probe for evidence of reactive-coupling-induced normal mode splitting.

  7. Chemical reactivities of ambient air samples in three Southern California communities

    E-Print Network [OSTI]

    2015-01-01

    and A.K. Cho. 2012. The chemical biology of naphthoquinonesinvolvement of organic chemicals and oxidative stress. Curr.www.tandfonline.com/loi/uawm20 Chemical reactivities of

  8. Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands on Structure

    E-Print Network [OSTI]

    Lawson, Catherine L.

    Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands that highly electronegative, sterically saturating ancillary ligands (e.g. Cp*) are not a prerequisite

  9. Corrosion-induced gas generation in a nuclear waste repository: Reactive geochemistry and multiphase flow effect

    E-Print Network [OSTI]

    Xu, T.

    2009-01-01

    Lying Repositories for Nuclear Waste, NAGRA Technical Reporthost rock formation for nuclear waste storage. EngineeringGas Generation in a Nuclear Waste Repository: Reactive

  10. ORNL/CP-97155 Instantaneous Reactive Power and Power Factor of

    Office of Scientific and Technical Information (OSTI)

    12-16, 1998, St. Louis, MO. 5 H. Akagi, Y. Kanazawa, A. Nabae, "Instantaneous Reactive Power Compensators Comprising Switching Devices without Energy Storage Components," IEEE...

  11. The effect of minerals on the reactivity of coal char treated thermally

    SciTech Connect (OSTI)

    Zhang, S.; Lu, J.; Zhao, B.; Zhang, J.; Yue, G. [Shanghai University of Science & Technology, Shanghai (China)

    2008-07-01

    The effect of minerals on the reactivity of coal char is addressed in this article. The chars were prepared in N{sub 2} under the inert conditions from the raw coals and their demineralized samples. Thermo-gravimetric analysis (TGA) was used to examine the effect of the minerals in the coals on the reactivity of the derived chars. The effect of minerals on the reactivity of YXV char is different from that on the reactivity of JJV char. The behavior of minerals differs from each other and can be attributed to the different amount, nature, and distribution in the two coals.

  12. Method of measuring reactive acoustic power density in a fluid

    DOE Patents [OSTI]

    Wheatley, J.C.; Swift, G.W.; Migliori, A.

    1985-09-03

    A method for determining reactive acoustic power density level and its direction in a fluid using a single sensor is disclosed. In the preferred embodiment, an apparatus for conducting the method, which is termed a thermoacoustic couple, consists of a stack of thin, spaced apart polymeric plates, selected ones of which include multiple bimetallic thermocouple junctions positioned along opposite end edges thereof. The thermocouple junctions are connected in series in the nature of a thermopile, and are arranged so as to be responsive to small temperature differences between the opposite edges of the plates. The magnitude of the temperature difference, as represented by the magnitude of the electrical potential difference generated by the thermopile, is found to be directly related to the level of acoustic power density in the gas. 5 figs.

  13. Method of measuring reactive acoustic power density in a fluid

    SciTech Connect (OSTI)

    Wheatley, John C.; Swift, Gregory W.; Migliori, Albert

    1985-01-01

    A method for determining reactive acoustic power density level and its direction in a fluid using a single sensor is disclosed. In the preferred embodiment, an apparatus for conducting the method, which is termed a thermoacoustic couple, consists of a stack of thin, spaced apart polymeric plates, selected ones of which include multiple bimetallic thermocouple junctions positioned along opposite end edges thereof. The thermocouple junctions are connected in series in the nature of a thermopile, and are arranged so as to be responsive to small temperature differences between the opposite edges of the plates. The magnitude of the temperature difference, as represented by the magnitude of the electrical potential difference generated by the thermopile, is found to be directly related to the level of acoustic power density in the gas.

  14. Distributed control for optimal reactive power compensation in smart microgrids

    E-Print Network [OSTI]

    Bolognani, Saverio

    2011-01-01

    We consider the problem of optimal reactive power compensation for the minimization of power distribution losses in a smart microgrid. We first propose an approximate model for the power distribution network, which allows us to cast the problem into the class of convex quadratic, linearly constrained, optimization problems. We also show how this model provides the tools for a distributed approach, in which agents have a partial knowledge of the problem parameters and state, and can only perform local measurements. Then, we design a randomized, gossip-like optimization algorithm, providing conditions for convergence together with an analytic characterization of the convergence speed. The analysis shows that the best performance can be achieved when we command cooperation among agents that are neighbors in the smart microgrid topology. Numerical simulations are included to validate the proposed model and to confirm the analytic results about the performance of the proposed algorithm.

  15. Transport of secondary electrons and reactive species in ion tracks

    E-Print Network [OSTI]

    Surdutovich, Eugene

    2015-01-01

    The transport of reactive species brought about by ions traversing tissue-like medium is analysed analytically. Secondary electrons ejected by ions are capable of ionizing other molecules; the transport of these generations of electrons is studied using the random walk approximation until these electrons remain ballistic. Then, the distribution of solvated electrons produced as a result of interaction of low-energy electrons with water molecules is obtained. The radial distribution of energy loss by ions and secondary electrons to the medium yields the initial radial dose distribution, which can be used as initial conditions for the predicted shock waves. The formation, diffusion, and chemical evolution of hydroxyl radicals in liquid water are studied as well.

  16. Anode reactive bleed and injector shift control strategy

    DOE Patents [OSTI]

    Cai, Jun [Rochester, NY; Chowdhury, Akbar [Pittsford, NY; Lerner, Seth E [Honeoye Falls, NY; Marley, William S [Rush, NY; Savage, David R [Rochester, NY; Leary, James K [Rochester, NY

    2012-01-03

    A system and method for correcting a large fuel cell voltage spread for a split sub-stack fuel cell system. The system includes a hydrogen source that provides hydrogen to each split sub-stack and bleed valves for bleeding the anode side of the sub-stacks. The system also includes a voltage measuring device for measuring the voltage of each cell in the split sub-stacks. The system provides two levels for correcting a large stack voltage spread problem. The first level includes sending fresh hydrogen to the weak sub-stack well before a normal reactive bleed would occur, and the second level includes sending fresh hydrogen to the weak sub-stack and opening the bleed valve of the other sub-stack when the cell voltage spread is close to stack failure.

  17. Properties of reactive oxygen species by quantum Monte Carlo

    SciTech Connect (OSTI)

    Zen, Andrea; Trout, Bernhardt L.; Guidoni, Leonardo

    2014-07-07

    The electronic properties of the oxygen molecule, in its singlet and triplet states, and of many small oxygen-containing radicals and anions have important roles in different fields of chemistry, biology, and atmospheric science. Nevertheless, the electronic structure of such species is a challenge for ab initio computational approaches because of the difficulties to correctly describe the statical and dynamical correlation effects in presence of one or more unpaired electrons. Only the highest-level quantum chemical approaches can yield reliable characterizations of their molecular properties, such as binding energies, equilibrium structures, molecular vibrations, charge distribution, and polarizabilities. In this work we use the variational Monte Carlo (VMC) and the lattice regularized Monte Carlo (LRDMC) methods to investigate the equilibrium geometries and molecular properties of oxygen and oxygen reactive species. Quantum Monte Carlo methods are used in combination with the Jastrow Antisymmetrized Geminal Power (JAGP) wave function ansatz, which has been recently shown to effectively describe the statical and dynamical correlation of different molecular systems. In particular, we have studied the oxygen molecule, the superoxide anion, the nitric oxide radical and anion, the hydroxyl and hydroperoxyl radicals and their corresponding anions, and the hydrotrioxyl radical. Overall, the methodology was able to correctly describe the geometrical and electronic properties of these systems, through compact but fully-optimised basis sets and with a computational cost which scales as N{sup 3} ? N{sup 4}, where N is the number of electrons. This work is therefore opening the way to the accurate study of the energetics and of the reactivity of large and complex oxygen species by first principles.

  18. Generalization of the Linearized Approximation to the Semiclassical Initial Value Representation for Reactive Flux Correlation Functions

    E-Print Network [OSTI]

    Miller, William H.

    of linearization of the general SC-IVR expression for the reactive flux correlation function (which is related10ARTICLES Generalization of the Linearized Approximation to the Semiclassical Initial Value Representation for Reactive Flux Correlation Functions William H. Miller Department of Chemistry, Uni

  19. PEV-based Reactive Power Compensation for Wind DG Units: A Stackelberg Game Approach

    E-Print Network [OSTI]

    Huang, Jianwei

    1 PEV-based Reactive Power Compensation for Wind DG Units: A Stackelberg Game Approach Chenye Wu, in particular wind power, in form of distributed generation (DG) units. However, one important challenge with wind DG units is to provide low-cost and fast-responding reactive power compensation of the wind

  20. How laminar frontal cortex and basal ganglia circuits interact to control planned and reactive saccades

    E-Print Network [OSTI]

    Crawford, Doug

    How laminar frontal cortex and basal ganglia circuits interact to control planned and reactive reactive behaviors are insufficient. This paper proposes a new model, called TELOS, to explain how laminar). In amphibians and all land vertebrates, the BG interact with a laminar structure, the optic tectum (OT), or its

  1. A gas-kinetic scheme for reactive ows Yongsheng Lian, Kun Xu*

    E-Print Network [OSTI]

    Xu, Kun

    A gas-kinetic scheme for reactive ¯ows Yongsheng Lian, Kun Xu* Department of Mathematics, Hong Kong in revised form 22 July 1999; accepted 22 July 1999 Abstract In this paper, the gas-kinetic BGK scheme for the compressible ¯ow equations is extended to chemical reactive ¯ow. The mass fraction of the unburnt gas

  2. Generation of Reactive Oxygen Species Mediated by 1Hydroxyphenazine, a Virulence Factor of Pseudomonas aeruginosa

    E-Print Network [OSTI]

    Gates, Kent. S.

    Generation of Reactive Oxygen Species Mediated by 1Hydroxyphenazine, a Virulence Factor tool for the detection of ROS generation mediated by 1-HP. These assays provided evidence that 1-HP evidence that 1-HP mediates the generation of intracellular oxidants. Generation of reactive oxygen species

  3. Comparison of reactivity measurements using water height, rods, and boron poison in the CX-SNTP

    SciTech Connect (OSTI)

    Ball, R.M. [B& W Nuclear Environmental Services, Inc., Lynchburg, VA (United States); Hoovler, G.S. [Babcock & Wilcox, Lynchburg, VA (United States)

    1995-12-31

    Babcock & Wilcox (B&W) designed and fabricated the experimental nuclear reactor (CX), for the Space Nuclear Thermal Propulsion (SNTP) program sponsored by the U.S. Air Force. The CX had an excess reactivity between $2.0 and $2.5. Variations in differential boric acid worth depending on the method used for balancing the reactivity are discussed in this paper.

  4. A reactive BGK-type model: influence of elastic collisions and chemical interactions

    E-Print Network [OSTI]

    Ceragioli, Francesca

    , Portugal Abstract. A BGK-type model for a reactive multicomponent gas undergoing chemical bimolecularA reactive BGK-type model: influence of elastic collisions and chemical interactions R. Monaco£ , M, as well as on common mean velocity and tempera- ture, is investigated with respect to chemical equilibrium

  5. A Tariff for Reactive Power 0 100 200 300 400 500 600 700 800

    E-Print Network [OSTI]

    Pennycook, Steve

    that if the inverters of PV systems or the generators of combined heat and power (CHP) systems were designed1 A Tariff for Reactive Power -100 -50 0 50 100 150 200 250 0 100 200 300 400 500 600 700 800 LINE describes a suggested tariff or payment for the local supply of reactive power from distributed energy

  6. Context-Specific Freezing and Associated Physiological Reactivity as a Dysregulated Fear Response

    E-Print Network [OSTI]

    Wisconsin at Madison, University of

    Context-Specific Freezing and Associated Physiological Reactivity as a Dysregulated Fear Response; only task-specific freezing behavior predicted higher reactive and basal cortisol levels and resting.g., freezing and startle), and social manifestations (e.g., shy- ness). Although components of the same

  7. Aalborg Universitet Reactive Power Support of Electrical Vehicle Charging Station Upgraded with Flywheel

    E-Print Network [OSTI]

    Vasquez, Juan Carlos

    Aalborg Universitet Reactive Power Support of Electrical Vehicle Charging Station Upgraded of Electrical Vehicle Charging Station Upgraded with Flywheel Energy Storage System," in Proc. IEEE PowerTech, 2015. Reactive Power Support of Electrical Vehicle Charging Station Upgraded with Flywheel Energy

  8. Relating theories of actions and reactive control Chitta Baral and Tran Cao Son

    E-Print Network [OSTI]

    Baral, Chitta

    Relating theories of actions and reactive control Chitta Baral and Tran Cao Son Department In this paper 1 we give a formal characterization of reactive control using ac­ tion theories. In the process we provenly correct control modules. We then extend our approach to action theories and control modules

  9. Finite Volume Element Approximations of Nonlocal Reactive Flows in Porous Media

    E-Print Network [OSTI]

    Ewing, Richard E.

    , Raytcho Lazarov Institute for Scienti#12;c Computation Texas A&M University 612 Blocker Building College. This model is very important in the transport of reactive and passive contaminates in aquifers, an area point of view, the evolution of either a passive or reactive chemical within a velocity #12;eld

  10. Relating maximum airway dilation and subsequent reconstriction to reactivity in human lungs

    E-Print Network [OSTI]

    Lutchen, Kenneth

    Relating maximum airway dilation and subsequent reconstriction to reactivity in human lungs Lauren in human lungs. J Appl Physiol 96: 1808­1814, 2004. First published February 6, 2004; 10.1152/japplphysiol reactivity in healthy lungs by prohibiting DI for an extended period. The present study had two goals. First

  11. Modeling Reactive Flows in Porous Media Peter Lichtner (lead PI), Los Alamos National Laboratory

    E-Print Network [OSTI]

    Mills, Richard

    and reactive transport in porous media. Apply it to field-scale studies of Geologic CO2 sequestrationModeling Reactive Flows in Porous Media Peter Lichtner (lead PI), Los Alamos National Laboratory NCCS Users Meeting March 28, 2007 #12;Introduction Companion to SciDAC-II project, "Modeling

  12. Multicomponent reactive transport modeling at the Ratones uranium mine, Cceres (Spain)

    E-Print Network [OSTI]

    Politècnica de Catalunya, Universitat

    Multicomponent reactive transport modeling at the Ratones uranium mine, Cáceres (Spain) Modelación management. The Ratones uranium mine was abandoned and flooded in 1974. Due to its reducing underground water, uranium, reactive transport, granite hydrochemistry, Ratones mine. Resumen La inundación de minas

  13. Low-temperature reactive coupling at polymerpolymer interfaces facilitated by supercritical CO2

    E-Print Network [OSTI]

    Low-temperature reactive coupling at polymer­polymer interfaces facilitated by supercritical CO2 S online 22 August 2005 Abstract Supercritical CO2 (scCO2) has been used to facilitate reactions in thin,6,7], the formation of such BCPs via reactive compatibilization [8­10], and the use of supercritical CO2 (scCO2) [11

  14. Author's personal copy A reactive force-field for Zirconium and Hafnium Di-Boride

    E-Print Network [OSTI]

    Sharma, Pradeep

    Author's personal copy A reactive force-field for Zirconium and Hafnium Di-Boride Afif Gouissem reactions High temperature materials a b s t r a c t Zirconium and Hafnium Di-Boride are the two major. Introduction The aim of this study is to develop transferable reactive force fields for Zirconium and Hafnium

  15. Evaluation of Reactive Power Control Capabilities of Residential PV in an Unbalanced Distribution Feeder

    E-Print Network [OSTI]

    and the overall effectiveness of each solution in realistic feeder states. Index Terms -- photovoltaic systems, reactive power control, voltage control, particle swarm optimization. I. INTRODUCTION Photovoltaic (PV PV is to use the spare reactive power capacity of their grid-tie inverters collectively to benefit

  16. The Effect of Loading on Reactive Market Power Antonio C. Zambroni de Souza Fernando Alvarado Mevludin Glavic

    E-Print Network [OSTI]

    that are supposed to be competing in the deregulated energy market. Reactive power supplies can make some particular of the system where additional sources of reactive power injection may be required. If such a region exists

  17. Role of nitric oxide in neurodegeneration and vulnerability of neuronal cells to nitric oxide metabolites and reactive oxygen species

    E-Print Network [OSTI]

    Bondy, SC; Lahiri, DK; Ghosh, C; Rogers, JT; Greig, NH

    2010-01-01

    hormone · Reactive nitrogen species · RNS · Tissue culture 1reactive nitrogen species (RNS), such as NO, suggest that inDisorders NO and other ROS and RNS exert important roles in

  18. Final Report- Rejuvenating Permeable Reactive Barriers by Chemical Flushing, U.S. Environmental Protection Agency Region 8 Support

    Broader source: Energy.gov [DOE]

    Final Report - Rejuvenating Permeable Reactive Barriers by Chemical Flushing, U.S. Environmental Protection Agency Region 8 Support

  19. Reactivity of iron-bearing minerals and CO2 sequestration: A multi-disciplinary experimental approach

    SciTech Connect (OSTI)

    Schoonen, Martin A. [Stony Brook University

    2014-12-22

    The reactivity of sandstones was studied under conditions relevant to the injection of supercritical carbon dioxide in the context of carbon geosequestration. The emphasis of the study was on the reactivity of iron-bearing minerals when exposed to supercritical CO2 (scCO2) and scCO2 with commingled aqueous solutions containing H2S and/or SO2. Flow through and batch experiments were conducted. Results indicate that sandstones, irrespective of their mineralogy, are not reactive when exposed to pure scCO2 or scCO2 with commingled aqueous solutions containing H2S and/or SO2 under conditions simulating the environment near the injection point (flow through experiments). However, sandstones are reactive under conditions simulating the edge of the injected CO2 plume or ahead of the plume (batch experiments). Sandstones containing hematite (red sandstone) are particularly reactive. The composition of the reaction products is strongly dependent on the composition of the aqueous phase. The presence of dissolved sulfide leads to the conversion of hematite into pyrite and siderite. The relative amount of the pyrite and siderite is influenced by the ionic strength of the solution. Little reactivity is observed when sulfite is present in the aqueous phase. Sandstones without hematite (grey sandstones) show little reactivity regardless of the solution composition.

  20. Mechanical models of fracture reactivation and slip on bedding surfaces during folding of the asymmetric anticline at Sheep Mountain, Wyoming

    E-Print Network [OSTI]

    Borja, Ronaldo I.

    Mechanical models of fracture reactivation and slip on bedding surfaces during folding June 2008 Accepted 5 June 2008 Available online 13 June 2008 Keywords: Fold Fracture reactivation Bed methods to investigate the reactivation of fractures (opening and shearing) and the development of bedding

  1. Apparatus for continuously referenced analysis of reactive components in solution

    DOE Patents [OSTI]

    Bostick, William D. (Oak Ridge, TN); Denton, Mark S. (Oak Ridge, TN); Dinsmore, Stanley R. (Norris, TN)

    1981-01-01

    A continuously referenced apparatus for measuring the concentration of a reactive chemical species in solution comprises in combination conduit means for introducing a sample solution, means for introducing one or more reactants into a sample solution, a reaction zone in fluid communication with said conduit means wherein a first chemical reaction occurs between said species and reactants, and a stream separator disposed within the conduit means for separating the sample solution into a sample stream and a reference stream. An enzymatic reactor is disposed in fluid communication with only the sample stream wherein a second reaction takes place between the said reactants, species, and reactor enzymes causing the consumption or production of an indicator species in just the sample stream. Measurement means such as a photometric system are disposed in communication with the sample and reference streams, and the outputs of the measurement means are compared to provide a blanked measurement of the concentration of indicator species. A peristaltic pump is provided to equalize flow through the apparatus by evacuation. The apparatus is particularly suitable for measurement of isoenzymes in body tissues or fluids.

  2. Predictive modeling of reactive wetting and metal joining.

    SciTech Connect (OSTI)

    van Swol, Frank B.

    2013-09-01

    The performance, reproducibility and reliability of metal joints are complex functions of the detailed history of physical processes involved in their creation. Prediction and control of these processes constitutes an intrinsically challenging multi-physics problem involving heating and melting a metal alloy and reactive wetting. Understanding this process requires coupling strong molecularscale chemistry at the interface with microscopic (diffusion) and macroscopic mass transport (flow) inside the liquid followed by subsequent cooling and solidification of the new metal mixture. The final joint displays compositional heterogeneity and its resulting microstructure largely determines the success or failure of the entire component. At present there exists no computational tool at Sandia that can predict the formation and success of a braze joint, as current capabilities lack the ability to capture surface/interface reactions and their effect on interface properties. This situation precludes us from implementing a proactive strategy to deal with joining problems. Here, we describe what is needed to arrive at a predictive modeling and simulation capability for multicomponent metals with complicated phase diagrams for melting and solidification, incorporating dissolutive and composition-dependent wetting.

  3. Reactivity of amine antioxidants relative to OH and anti e

    SciTech Connect (OSTI)

    Minkhadzhidinova, D.R.; Nikiforov, G.A.; Khrapova, N.G.; Sharpatyi, V.A.

    1986-06-20

    An ESR study was carried out on the reactivity of various types of amines relative to OH/sup ./ and anti e. The selection of these compounds having anti-oxidant properties was also based on the circumstance that amine molecules contain a set of functional groups which may be potential sites for the attack of both OH and anti e radicals. A sample of 6 M H/sub 3/PO/sub 4/ was used for the matrix solutions and forms a glass upon rapid insertion into liquid nitrogen. The phosphoric acid solutions of these compounds taken in concentrations from 0.025 to 0.05 M were flushed with argon to remove oxygen. Ampules containing the solutions were inserted into liquid nitrogen and irradiated from a cobalt source. The ESR spectra of the irradiated solutions clearly show the components of the atomic hydrogen doublet with a = 50 mT and of H/sub 2/PO/sub 4//sup ./ radicals in the central region of the spectrum.

  4. LX-17 Corner-Turning and Reactive Flow Failure

    SciTech Connect (OSTI)

    Souers, P C; Andreski, H; Cook III, C F; Garza, R; Pastrone, R; Phillips, D; Roeske, F; Vitello, P; Molitoris, J

    2004-03-11

    We have performed a series of highly-instrumented experiments examining corner-turning of detonation. A TATB booster is inset 15 mm into LX-17 (92.5% TATB, 7.5% kel-F) so that the detonation must turn a right angle around an air well. An optical pin located at the edge of the TATB gives the start time of the corner-turn. The breakout time on the side and back edges is measured with streak cameras. Three high-resolution X-ray images were taken on each experiment to examine the details of the detonation. We have concluded that the detonation cannot turn the corner and subsequently fails, but the shock wave continues to propagate in the unreacted explosive, leaving behind a dead zone. The detonation front farther out from the corner slowly turns and eventually reaches the air well edge 180{sup o} from its original direction. The dead zone is stable and persists 7.7 {micro}s after the corner-turn, although it has drifted into the original air well area. Our regular reactive flow computer models sometimes show temporary failure but they recover quickly and are unable to model the dead zones. We present a failure model that cuts off the reaction rate below certain detonation velocities and reproduces the qualitative features of the corner-turning failure.

  5. Etching radical controlled gas chopped deep reactive ion etching

    DOE Patents [OSTI]

    Olynick, Deidre; Rangelow, Ivo; Chao, Weilun

    2013-10-01

    A method for silicon micromachining techniques based on high aspect ratio reactive ion etching with gas chopping has been developed capable of producing essentially scallop-free, smooth, sidewall surfaces. The method uses precisely controlled, alternated (or chopped) gas flow of the etching and deposition gas precursors to produce a controllable sidewall passivation capable of high anisotropy. The dynamic control of sidewall passivation is achieved by carefully controlling fluorine radical presence with moderator gasses, such as CH.sub.4 and controlling the passivation rate and stoichiometry using a CF.sub.2 source. In this manner, sidewall polymer deposition thicknesses are very well controlled, reducing sidewall ripples to very small levels. By combining inductively coupled plasmas with controlled fluorocarbon chemistry, good control of vertical structures with very low sidewall roughness may be produced. Results show silicon features with an aspect ratio of 20:1 for 10 nm features with applicability to nano-applications in the sub-50 nm regime. By comparison, previous traditional gas chopping techniques have produced rippled or scalloped sidewalls in a range of 50 to 100 nm roughness.

  6. Installation of reactive metals groundwater collection and treatment systems

    SciTech Connect (OSTI)

    Hopkins, J.K.; Primrose, A.L.; Vogan, J.; Uhland, J.

    1998-07-01

    Three groundwater plumes contaminated with volatile organic compounds (VOCs) and radionuclides at the Rocky Flats Environmental Technology Site are scheduled for remediation by 1999 based on the Rocky Flats Cleanup Agreement (RFCA) (DOE, 1996). These three plumes are among the top 20 environmental cleanup sites at Rocky Flats. One of these plumes, the Mound Site Plume, is derived from a previous drum storage area, and daylights as seeps near the South Walnut Creek drainage. Final design for remediation of the Mound Site Plume has been completed based on use of reactive metals to treat the contaminated groundwater, and construction is scheduled for early 1998. The two other plumes, the 903 Pad/Ryan`s Pit and the East Trenches Plumes, are derived from VOCs either from drums that leaked or that were disposed of in trenches. These two plumes are undergoing characterization and conceptual design in 1998 and construction is scheduled in 1999. The contaminants of concern in these plumes are tetrachloroethene, trichloroethene, carbon tetrachloride and low levels of uranium and americium.

  7. Kinetics and mechanisms of reactions involving small aromatic reactive intermediates

    SciTech Connect (OSTI)

    Lin, M.C. [Emory Univ., Atlanta, GA (United States)

    1993-12-01

    Small aromatic radicals such as C{sub 6}H{sub 5}, C{sub 6}H{sub 5}O and C{sub 6}H{sub 4} are key prototype species of their homologs. C{sub 6}H{sub 5} and its oxidation product, C{sub 6}H{sub 5}O are believed to be important intermediates which play a pivotal role in hydrocarbon combustion, particularly with regard to soot formation. Despite their fundamental importance, experimental data on the reaction mechanisms and reactivities of these species are very limited. For C{sub 6}H{sub 5}, most kinetic data except its reactions with NO and NO{sub 2}, were obtained by relative rate measurements. For C{sub 6}H{sub 5}O, the authors have earlier measured its fragmentation reaction producing C{sub 5}H{sub 5} + CO in shock waves. For C{sub 6}H{sub 4}, the only rate constant measured in the gas phase is its recombination rate at room temperature. The authors have proposed to investigate systematically the kinetics and mechanisms of this important class of molecules using two parallel laser diagnostic techniques--laser resonance absorption (LRA) and resonance enhanced multiphoton ionization mass spectrometry (REMPI/MS). In the past two years, study has been focused on the development of a new multipass adsorption technique--the {open_quotes}cavity-ring-down{close_quotes} technique for kinetic applications. The preliminary results of this study appear to be quite good and the sensitivity of the technique is at least comparable to that of the laser-induced fluorescence method.

  8. Photoconductivity in reactively evaporated copper indium selenide thin films

    SciTech Connect (OSTI)

    Urmila, K. S., E-mail: urmilaks7@gmail.com; Asokan, T. Namitha, E-mail: urmilaks7@gmail.com; Pradeep, B., E-mail: urmilaks7@gmail.com [Solid State Physics Laboratory, Cochin University of Science and Technology, Kochi, Kerala (India); Jacob, Rajani; Philip, Rachel Reena [Thin Film Research Laboratory, Union Christian College, Aluva, Kerala (India)

    2014-01-28

    Copper indium selenide thin films of composition CuInSe{sub 2} with thickness of the order of 130 nm are deposited on glass substrate at a temperature of 423 ±5 K and pressure of 10{sup ?5} mbar using reactive evaporation, a variant of Gunther's three temperature method with high purity Copper (99.999%), Indium (99.999%) and Selenium (99.99%) as the elemental starting materials. X-ray diffraction (XRD) studies shows that the films are polycrystalline in nature having preferred orientation of grains along the (112) plane. The structural type of the film is found to be tetragonal with particle size of the order of 32 nm. The structural parameters such as lattice constant, particle size, dislocation density, number of crystallites per unit area and strain in the film are also evaluated. The surface morphology of CuInSe{sub 2} films are studied using 2D and 3D atomic force microscopy to estimate the grain size and surface roughness respectively. Analysis of the absorption spectrum of the film recorded using UV-Vis-NIR Spectrophotometer in the wavelength range from 2500 nm to cutoff revealed that the film possess a direct allowed transition with a band gap of 1.05 eV and a high value of absorption coefficient (?) of 10{sup 6} cm{sup ?1} at 570 nm. Photoconductivity at room temperature is measured after illuminating the film with an FSH lamp (82 V, 300 W). Optical absorption studies in conjunction with the good photoconductivity of the prepared p-type CuInSe{sub 2} thin films indicate its suitability in photovoltaic applications.

  9. In-Cylinder Mechanisms of PCI Heat-Release Rate Control by Fuel Reactivity Stratification

    Broader source: Energy.gov [DOE]

    Explores in-cylinder mechanisms by which fuel reactivity stratification via a two fuel system affects premixed charge compression ignition heat release rate to achieve diesel-like efficiency

  10. Assessment of the Economic Potential of Microgrids for Reactive Power Supply

    SciTech Connect (OSTI)

    Appen, Jan von; Marnay, Chris; Stadler, Michael; Momber, Ilan; Klapp, David; Scheven, Alexander von

    2011-05-01

    As power generation from variable distributed energy resources (DER) grows, energy flows in the network are changing, increasing the requirements for ancillary services, including voltage support. With the appropriate power converter, DER can provide ancillary services such as frequency control and voltage support. This paper outlines the economic potential of DERs coordinated in a microgrid to provide reactive power and voltage support at its point of common coupling. The DER Customer Adoption Model assesses the costs of providing reactive power, given local utility rules. Depending on the installed DER, the cost minimizing solution for supplying reactive power locally is chosen. Costs include the variable cost of the additional losses and the investment cost of appropriately over-sizing converters or purchasing capacitors. A case study of a large health care building in San Francisco is used to evaluate different revenue possibilities of creating an incentive for microgrids to provide reactive power.

  11. Testing hyperalgesia and hypoalgesia in human pain reactivity using shock and radiant heat 

    E-Print Network [OSTI]

    Rhudy, Jamie Lynn

    1998-01-01

    Recent animal studies pose a serious challenge for raphics. current models of pain modulation. These studies have shown that exposure to the same aversive stimulus has opposite effects on different measures of pain reactivity, ...

  12. Molten salt extraction of transuranic and reactive fission products from used uranium oxide fuel

    SciTech Connect (OSTI)

    Herrmann, Steven Douglas

    2014-05-27

    Used uranium oxide fuel is detoxified by extracting transuranic and reactive fission products into molten salt. By contacting declad and crushed used uranium oxide fuel with a molten halide salt containing a minor fraction of the respective uranium trihalide, transuranic and reactive fission products partition from the fuel to the molten salt phase, while uranium oxide and non-reactive, or noble metal, fission products remain in an insoluble solid phase. The salt is then separated from the fuel via draining and distillation. By this method, the bulk of the decay heat, fission poisoning capacity, and radiotoxicity are removed from the used fuel. The remaining radioactivity from the noble metal fission products in the detoxified fuel is primarily limited to soft beta emitters. The extracted transuranic and reactive fission products are amenable to existing technologies for group uranium/transuranic product recovery and fission product immobilization in engineered waste forms.

  13. Combining thorium with burnable poison for reactivity control of a very long cycle BWR

    E-Print Network [OSTI]

    Inoue, Yuichiro, 1969-

    2004-01-01

    The effect of utilizing thorium together with gadolinium, erbium, or boron burnable absorber in BWR fuel assemblies for very long cycle is investigated. Nuclear characteristics such as reactivity and power distributions ...

  14. DYNAMIC MODELING AND CONTROL OF REACTIVE DISTILLATION FOR HYDROGENATION OF BENZENE 

    E-Print Network [OSTI]

    Aluko, Obanifemi

    2010-01-16

    This work presents a modeling and control study of a reactive distillation column used for hydrogenation of benzene. A steady state and a dynamic model have been developed to investigate control structures for the column. ...

  15. Structures and Reactivity of Transition-Metal Compounds Featuring Metal-Ligand Multiple Bonds 

    E-Print Network [OSTI]

    Xu, Zhenggang

    2014-07-25

    This dissertation presents the results from density functional theory (DFT) calculations on three major projects I have been working on over the past several years. The first system is focused on the structure and reactivity ...

  16. Alkbh8 Regulates Selenocysteine-Protein Expression to Protect against Reactive Oxygen Species Damage

    E-Print Network [OSTI]

    Endres, Lauren

    Environmental and metabolic sources of reactive oxygen species (ROS) can damage DNA, proteins and lipids to promote disease. Regulation of gene expression can prevent this damage and can include increased transcription, ...

  17. Voltage Control of Distribution Networks with Distributed Generation using Reactive Power

    E-Print Network [OSTI]

    Pota, Himanshu Roy

    , photovoltaics, and synchronous generators. I. INTRODUCTION Penetration of DG into distribution network in terms of voltage profile improvement, line-loss reduction, and environmental impact reductionVoltage Control of Distribution Networks with Distributed Generation using Reactive Power

  18. Reactivity of nanocolloidal particles -Fe2O3 at charged interfaces: 2-Electrochemical conversion.

    E-Print Network [OSTI]

    Boyer, Edmond

    synthesis of magnetic and conductive liquids. The reactivity of charged colloidal10 particles occurs in two by methyl viologen), nanoparticles of hematite and goethite (-FeOOH: d = 50 nm) are invo

  19. Mechanistic Details and Reactivity Descriptors in Oxidation and Acid Catalysis of Methanol

    E-Print Network [OSTI]

    Iglesia, Enrique

    /O2 ratios predicted from the elementary steps proposed. First-order ODH rate constants depend-suited to assess reaction mechanisms and the effects of composition on catalytic reactivity and selectivity and the ultimate design of cataly

  20. Analysis of Reactivity Induced Accident for Control Rods Ejection with Loss of Cooling

    E-Print Network [OSTI]

    Saad, Hend Mohammed El Sayed; Wahab, Moustafa Aziz Abd El

    2013-01-01

    Understanding of the time-dependent behavior of the neutron population in nuclear reactor in response to either a planned or unplanned change in the reactor conditions, is a great importance to the safe and reliable operation of the reactor. In the present work, the point kinetics equations are solved numerically using stiffness confinement method (SCM). The solution is applied to the kinetics equations in the presence of different types of reactivities and is compared with different analytical solutions. This method is also used to analyze reactivity induced accidents in two reactors. The first reactor is fueled by uranium and the second is fueled by plutonium. This analysis presents the effect of negative temperature feedback with the addition positive reactivity of control rods to overcome the occurrence of control rod ejection accident and damaging of the reactor. Both power and temperature pulse following the reactivity- initiated accidents are calculated. The results are compared with previous works and...

  1. Analysis of Reactivity Induced Accident for Control Rods Ejection with Loss of Cooling

    E-Print Network [OSTI]

    Hend Mohammed El Sayed Saad; Hesham Mohammed Mohammed Mansour; Moustafa Aziz Abd El Wahab

    2013-06-05

    Understanding of the time-dependent behavior of the neutron population in nuclear reactor in response to either a planned or unplanned change in the reactor conditions, is a great importance to the safe and reliable operation of the reactor. In the present work, the point kinetics equations are solved numerically using stiffness confinement method (SCM). The solution is applied to the kinetics equations in the presence of different types of reactivities and is compared with different analytical solutions. This method is also used to analyze reactivity induced accidents in two reactors. The first reactor is fueled by uranium and the second is fueled by plutonium. This analysis presents the effect of negative temperature feedback with the addition positive reactivity of control rods to overcome the occurrence of control rod ejection accident and damaging of the reactor. Both power and temperature pulse following the reactivity- initiated accidents are calculated. The results are compared with previous works and satisfactory agreement is found.

  2. Reaction mechanism of cumene hydroperoxide decomposition in cumene and evaluation of its reactivity hazards 

    E-Print Network [OSTI]

    Lu, Yuan

    2009-05-15

    understanding of the reaction mechanism. The slow progress in theoretical research hinders the application of the theoretical prediction in experimental research. For experimental research, the lack of integration of operational parameters into the reactivity...

  3. Inhibition of Pyruvate Kinase M2 by Reactive Oxygen Species Contributes to Cellular Antioxidant Responses

    E-Print Network [OSTI]

    Vander Heiden, Matthew G.

    Control of intracellular reactive oxygen species (ROS) concentrations is critical for cancer cell survival. We show that, in human lung cancer cells, acute increases in intracellular concentrations of ROS caused inhibition ...

  4. Integration of reactive polymeric nanofilms into a low-power electromechanical switch for selective chemical sensing

    E-Print Network [OSTI]

    Arora, William J.

    This paper presents the fabrication and demonstration of an ultrathin microelectromechanical chemical sensing device. Microcantilevers are etched from 100-nm-thick silicon nitride, and a 75-nm-thick reactive copolymer film ...

  5. FLOW AND REACTIVE TRANSPORT MODELING IN THE GTS-HPF EXPERIMENT

    E-Print Network [OSTI]

    Politècnica de Catalunya, Universitat

    repositories for L/IL radioactive waste ·Hyperalkaline solutions #12;GTS-HPF Grimsel Test Site - HyperalkalineFLOW AND REACTIVE TRANSPORT MODELING IN THE GTS-HPF EXPERIMENT Grimsel Test Site ­ Hyperalkaline

  6. Static reactive power compensators for high-voltage power systems. Final report

    SciTech Connect (OSTI)

    Not Available

    1981-04-01

    A study conducted to summarize the role of static reactive power compensators for high voltage power system applications is described. This information should be useful to the utility system planning engineer in applying static var systems (SVS) to high voltage as (HVAC) systems. The static var system is defined as a form of reactive power compensator. The general need for reactive power compensation in HVAC systems is discussed, and the static var system is compared to other devices utilized to provide reactive power compensation. Examples are presented of applying SVS for specific functions, such as the prevention of voltage collapse. The operating principles of commercially available SVS's are discussed in detail. The perormance and active power loss characteristics of SVS types are compared.

  7. Reactivity of Ozone with Solid Potassium Iodide Investigated by Atomic Force Microscopy

    E-Print Network [OSTI]

    Brown, Matthew A.

    2008-01-01

    J. C. , Reactivity of ozone on solid potassium iodide.and mechanisms of aqueous ozone reactions with bromide,for Dry Deposition of Ozone to Seawater Surfaces. Journal of

  8. Phase II: Performance Evaluation of Permeable Reactive Barriers and Potential for Rejuvenation by Chemical Flushing

    Broader source: Energy.gov [DOE]

    Final ReportPhase II: Performance Evaluation of Permeable Reactive Barriers and Potential for Rejuvenation by Chemical FlushingU. S. Environmental Protection Agency Region 8 SupportJanuary 2004

  9. FLOW AND REACTIVE TRANSPORT IN POROUS MEDIA INDUCED BY WELL INJECTION: SIMILARITY SOLUTION

    E-Print Network [OSTI]

    FLOW AND REACTIVE TRANSPORT IN POROUS MEDIA INDUCED BY WELL INJECTION: SIMILARITY SOLUTION C.J. VAN from laboratory batch experiments. Typical examples of isotherms are (see e.g. Freeze and Cherry [FC

  10. Isomeric differentiation of polycyclic aromatic hydrocarbons using silver nitrate reactive desorption electrospray ionization

    E-Print Network [OSTI]

    Zare, Richard N.

    Isomeric differentiation of polycyclic aromatic hydrocarbons using silver nitrate reactive hydrocarbons (PAHs) are nonpolar and difficult to detect by desorption electrospray ionization. We present. Polycyclic aromatic hydrocarbons (PAHs) are one of the most prevalent forms of aquatic environmental

  11. Incorporation of reactive magnesia and quicklime in sustainable binders for soil stabilisation

    E-Print Network [OSTI]

    Gu, Kai; Jin, Fei; Al-Tabbaa, Abir; Shi, Bin; Liu, Chun; Gao, Lei

    2015-05-27

    strength, volume stability, durability and permeability. The primary mechanism of soil stabilisation with PC is through the hydration of PC which leads to the formation of cementitious calcium silicate hydrates (C-S-H), calcium aluminate hydrates (C... which leads to expansion and cracking of cement and concrete through the delayed hydration. Reactive MgOs have much higher reactivity than dead burned MgO and hence faster hydration rate. On the other hand, given the different origins and production...

  12. Letters to the Editor Enhancement of char reactivity by rapid heating of precursor coal

    E-Print Network [OSTI]

    of air was measured at 500°C in a TGA apparatus as previously des- cribed'. The char sample was heated in the TGA unit at lO"C/min to 500°C in N2 and soaked for 15 min prior to studying reactivity. Reactivity on heat RT Heat treatments treatment (%, dry basis) (g h-' g-`) 10"Clmin to 500°C 37.3 3.85 lO"C/min to8OO"C

  13. Conditioned changes in pain reactivity: conditioned stimuli elicit hypoalgesia under a wide range of test conditions 

    E-Print Network [OSTI]

    Illich, Paul Anthony

    1990-01-01

    in pain reactivity. In four experiments I attempt to isolate the variables which determine the direction of the conditioned response. In all experiments, I assessed the impact of a previously paired stimulus (CSt) and a nonreinforced stimulus (CS...-) on pain reactivity as measured by both tail-flick latencies and shock-induced vocalization. Experiment 1 assessed whether the amount of training plays a critical role. I found that the CS+ elicited longer tail-flick latencies (hypoalgesia) irrespective...

  14. Permeability Modification Using a Reactive Alkaline-Soluble Biopolymer

    SciTech Connect (OSTI)

    Snadra L. Fox; X. Xie; K. D. Schaller; E. P. Robertson; G. A. Bala

    2003-10-01

    Polymer injection has been used in reservoirs to alleviate contrasting permeability zones. Current technology relies on the use of cross-linking agents to initiate gelation. The use of biological polymers are advantageous in that they can block high permeability areas, are environmentally friendly, and have potential to form reversible gels without the use of hazardous cross-linkers. Recent efforts at the Idaho National Engineering and Environmental Laboratory (INEEL) have produced a reactive alkaline-soluble biopolymer from Agrobacterium sp. ATCC no. 31749 that gels upon decreasing the pH of the polymeric solution. The focus of this study was to determine the impact an alkaline-soluble biopolymer can have on sandstone permeability. Permeability modification was investigated by injecting solubilized biopolymer into Berea sandstone cores and defining the contribution of pH, salt, temperature, and Schuricht crude oil on biopolymer gelation. The biopolymer was soluble in KOH at a pH greater than 11.4 and gelled when the pH dropped below 10.8. The Berea sandstone core buffered the biopolymer solution, decreasing the pH sufficiently to form a gel, which subsequently decreased the permeability. The effluent pH of the control cores injected with 0.01 {und M} KOH (pH 12.0) and 0.10{und M} KOH (pH 13.0) decreased to 10.6 and 12.7, respectively. The permeability of the sandstone core injected with biopolymer was decreased to greater than 95% of the original permeability at 25 C in the presence of 2% NaCl, and Schuricht crude oil; however, the permeability increased when the temperature of the core was increased to 60 C. Residual resistance factors as high as 792 were seen in Berea cores treated with biopolymer. The buffering capacity of sandstone has been demonstrated to reduce the pH of a biopolymer solution sufficiently to cause the polymer to form a stable in-situ gel. This finding could potentially lead to alternate technology for permeability modification, thus extending the life of a reservoir and preventing premature abandonment.

  15. Application of a data assimilation method via an ensemble Kalman filter to reactive urea hydrolysis transport modeling

    SciTech Connect (OSTI)

    Juxiu Tong; Bill X. Hu; Hai Huang; Luanjin Guo; Jinzhong Yang

    2014-03-01

    With growing importance of water resources in the world, remediations of anthropogenic contaminations due to reactive solute transport become even more important. A good understanding of reactive rate parameters such as kinetic parameters is the key to accurately predicting reactive solute transport processes and designing corresponding remediation schemes. For modeling reactive solute transport, it is very difficult to estimate chemical reaction rate parameters due to complex processes of chemical reactions and limited available data. To find a method to get the reactive rate parameters for the reactive urea hydrolysis transport modeling and obtain more accurate prediction for the chemical concentrations, we developed a data assimilation method based on an ensemble Kalman filter (EnKF) method to calibrate reactive rate parameters for modeling urea hydrolysis transport in a synthetic one-dimensional column at laboratory scale and to update modeling prediction. We applied a constrained EnKF method to pose constraints to the updated reactive rate parameters and the predicted solute concentrations based on their physical meanings after the data assimilation calibration. From the study results we concluded that we could efficiently improve the chemical reactive rate parameters with the data assimilation method via the EnKF, and at the same time we could improve solute concentration prediction. The more data we assimilated, the more accurate the reactive rate parameters and concentration prediction. The filter divergence problem was also solved in this study.

  16. Automated Impedance Tomography for Monitoring Permeable Reactive Barrier Health

    SciTech Connect (OSTI)

    LaBrecque, D J; Adkins, P L

    2009-07-02

    The objective of this research was the development of an autonomous, automated electrical geophysical monitoring system which allows for near real-time assessment of Permeable Reactive Barrier (PRB) health and aging and which provides this assessment through a web-based interface to site operators, owners and regulatory agencies. Field studies were performed at four existing PRB sites; (1) a uranium tailing site near Monticello, Utah, (2) the DOE complex at Kansas City, Missouri, (3) the Denver Federal Center in Denver, Colorado and (4) the Asarco Smelter site in East Helena, Montana. Preliminary surface data over the PRB sites were collected (in December, 2005). After the initial round of data collection, the plan was modified to include studies inside the barriers in order to better understand barrier aging processes. In September 2006 an autonomous data collection system was designed and installed at the EPA PRB and the electrode setups in the barrier were revised and three new vertical electrode arrays were placed in dedicated boreholes which were in direct contact with the PRB material. Final data were collected at the Kansas City, Denver and Monticello, Utah PRB sites in the fall of 2007. At the Asarco Smelter site in East Helena, Montana, nearly continuous data was collected by the autonomous monitoring system from June 2006 to November 2007. This data provided us with a picture of the evolution of the barrier, enabling us to examine barrier changes more precisely and determine whether these changes are due to installation issues or are normal barrier aging. Two rounds of laboratory experiments were carried out during the project. We conducted column experiments to investigate the effect of mineralogy on the electrical signatures resulting from iron corrosion and mineral precipitation in zero valent iron (ZVI) columns. In the second round of laboratory experiments we observed the electrical response from simulation of actual field PRBs at two sites: the Kansas City barrier and the East Helena barrier. As these sites are also used for our field monitoring efforts, this allowed for a comparison between field and laboratory. In column studies with high concentrations of calcium and carbonate/bicarbonate, we observed that the increase of electrical resistivity and decrease of polarization magnitude is significant and is mainly controlled by the precipitation of calcium carbonates. In general, the electrical properties of all of the barriers studied follow a pattern. New barriers are fairly resistive with in-situ conductivity only a few times background (outside the barrier) values. Older barriers get increasingly conductive, with failed barriers showing values of over 100 S/m. The induced polarization response is more complicated. Chargeability values increase over time for young barriers, are largest for healthy barriers in the middle of their lifespan, and decrease as the barrier ages These results suggest that normalized IP appears promising as a measure of barrier age.

  17. A Preliminary Analysis of the Economics of Using Distributed Energy as a Source of Reactive Power Supply

    SciTech Connect (OSTI)

    Li, Fangxing; Kueck, John D; Rizy, D Tom; King, Thomas F

    2006-04-01

    A major blackout affecting 50 million people in the Northeast United States, where insufficient reactive power supply was an issue, and an increased number of filings made to the Federal Energy Regulatory Commission by generators for reactive power has led to a closer look at reactive power supply and compensation. The Northeastern Massachusetts region is one such area where there is an insufficiency in reactive power compensation. Distributed energy due to its close proximity to loads seems to be a viable option for solving any present or future reactive power shortage problems. Industry experts believe that supplying reactive power from synchronized distributed energy sources can be 2 to 3 times more effective than providing reactive support in bulk from longer distances at the transmission or generation level. Several technology options are available to supply reactive power from distributed energy sources such as small generators, synchronous condensers, fuel cells or microturbines. In addition, simple payback analysis indicates that investments in DG to provide reactive power can be recouped in less than 5 years when capacity payments for providing reactive power are larger than $5,000/kVAR and the DG capital and installation costs are lower than $30/kVAR. However, the current institutional arrangements for reactive power compensation present a significant barrier to wider adoption of distributed energy as a source of reactive power. Furthermore, there is a significant difference between how generators and transmission owners/providers are compensated for reactive power supplied. The situation for distributed energy sources is even more difficult, as there are no arrangements to compensate independent DE owners interested in supplying reactive power to the grid other than those for very large IPPs. There are comparable functionality barriers as well, as these smaller devices do not have the control and communications requirements necessary for automatic operation in response to local or system operators. There are no known distributed energy asset owners currently receiving compensation for reactive power supply or capability. However, there are some cases where small generators on the generation and transmission side of electricity supply have been tested and have installed the capability to be dispatched for reactive power support. Several concerns need to be met for distributed energy to become widely integrated as a reactive power resource. The overall costs of retrofitting distributed energy devices to absorb or produce reactive power need to be reduced. There needs to be a mechanism in place for ISOs/RTOs to procure reactive power from the customer side of the meter where distributed energy resides. Novel compensation methods should be introduced to encourage the dispatch of dynamic resources close to areas with critical voltage issues. The next phase of this research will investigate in detail how different options of reactive power producing DE can compare both economically and functionally with shunt capacitor banks. Shunt capacitor banks, which are typically used for compensating reactive power consumption of loads on distribution systems, are very commonly used because they are very cost effective in terms of capital costs. However, capacitor banks can require extensive maintenance especially due to their exposure to lightning at the top of utility poles. Also, it can be problematic to find failed capacitor banks and their maintenance can be expensive, requiring crews and bucket trucks which often requires total replacement. Another shortcoming of capacitor banks is the fact that they usually have one size at a location (typically sized as 300, 600, 900 or 1200kVAr) and thus don't have variable range as do reactive power producing DE, and cannot respond to dynamic reactive power needs. Additional future work is to find a detailed methodology to identify the hidden benefit of DE for providing reactive power and the best way to allocate the benefit among customers, utilities, transmission companies or RTOs.

  18. Energy Storage and Reactive Power Compensator in a Large Wind Farm: Preprint

    SciTech Connect (OSTI)

    Muljadi, E.; Butterfield, C. P.; Yinger, R.; Romanowitz, H.

    2003-10-01

    The size of wind farm power systems is increasing, and so is the number of wind farms contributing to the power systems network. The size of wind turbines is also increasing--from less than 1 MW a few years ago to the 2- to 3-MW machines being installed today and the 5-MW machines under development. The interaction of the wind farm, energy storage, reactive power compensation, and the power system network is being investigated. Because the loads and the wind farms' output fluctuate during the day, the use of energy storage and reactive power compensation is ideal for the power system network. Energy storage and reactive power compensation can minimize real/reactive power imbalances that can affect the surrounding power system. In this paper, we will show how the contribution of wind farms affects the power distribution network and how the power distribution network, energy storage, and reactive power compensation interact when the wind changes. We will also investigate the size of the components in relation to each other and to the power system.

  19. Reactive power interconnection requirements for PV and wind plants : recommendations to NERC.

    SciTech Connect (OSTI)

    McDowell, Jason; Walling, Reigh; Peter, William; Von Engeln, Edi; Seymour, Eric; Nelson, Robert; Casey, Leo; Ellis, Abraham; Barker, Chris.

    2012-02-01

    Voltage on the North American bulk system is normally regulated by synchronous generators, which typically are provided with voltage schedules by transmission system operators. In the past, variable generation plants were considered very small relative to conventional generating units, and were characteristically either induction generator (wind) or line-commutated inverters (photovoltaic) that have no inherent voltage regulation capability. However, the growing level of penetration of non-traditional renewable generation - especially wind and solar - has led to the need for renewable generation to contribute more significantly to power system voltage control and reactive power capacity. Modern wind-turbine generators, and increasingly PV inverters as well, have considerable dynamic reactive power capability, which can be further enhanced with other reactive support equipment at the plant level to meet interconnection requirements. This report contains a set of recommendations to the North-America Electricity Reliability Corporation (NERC) as part of Task 1-3 (interconnection requirements) of the Integration of Variable Generation Task Force (IVGTF) work plan. The report discusses reactive capability of different generator technologies, reviews existing reactive power standards, and provides specific recommendations to improve existing interconnection standards.

  20. Reactive nitrogen, ozone and ozone production in the Arctic troposphere and the impact of stratosphere-troposphere exchange

    E-Print Network [OSTI]

    2011-01-01

    and Logan, J. A. : Atmospheric chemistry in the Arctic andIntroduction to Atmospheric Chemistry, Princeton University3.0 License. Atmospheric Chemistry and Physics Reactive

  1. Advancing reactive tracer methods for measuring thermal evolution in CO2-and water-based geothermal reservoirs

    Broader source: Energy.gov [DOE]

    DOE Geothermal Peer Review 2010 - Presentation. This project aims to develop reactive tracer method for monitoring thermal drawdown in enhanced geothermal systems.

  2. Performance Assessment and Recommendations for Rejuvenation of a Permeable Reactive Barrier: Cotter Corporation’s Cañon City, Colorado, Uranium Mill

    Broader source: Energy.gov [DOE]

    Performance Assessment and Recommendations for Rejuvenation of a Permeable Reactive Barrier: Cotter Corporation’s Canon City, Colorado, Uranium Mill (April 2005)

  3. Pore scale modeling of reactive transport involved in geologic CO2 sequestration

    SciTech Connect (OSTI)

    Kang, Qinjin [Los Alamos National Laboratory; Lichtner, Peter C [Los Alamos National Laboratory; Viswanathan, Hari S [Los Alamos National Laboratory; Abdel-fattah, Amr I [Los Alamos National Laboratory

    2009-01-01

    We apply a multi-component reactive transport lattice Boltzmann model developed in previolls studies to modeling the injection of a C02 saturated brine into various porous media structures at temperature T=25 and 80 C. The porous media are originally consisted of calcite. A chemical system consisting of Na+, Ca2+, Mg2+, H+, CO2(aq), and CI-is considered. The fluid flow, advection and diHusion of aqueous species, homogeneous reactions occurring in the bulk fluid, as weB as the dissolution of calcite and precipitation of dolomite are simulated at the pore scale. The effects of porous media structure on reactive transport are investigated. The results are compared with continuum scale modeling and the agreement and discrepancy are discussed. This work may shed some light on the fundamental physics occurring at the pore scale for reactive transport involved in geologic C02 sequestration.

  4. Methods and apparatuses for reagent delivery, reactive barrier formation, and pest control

    DOE Patents [OSTI]

    Gilmore, Tyler [Pasco, WA; Kaplan, Daniel I [Aiken, SC; Last, George [Richland, WA

    2002-07-09

    A reagent delivery method includes positioning reagent delivery tubes in contact with soil. The tubes can include a wall that is permeable to a soil-modifying reagent. The method further includes supplying the reagent in the tubes, diffusing the reagent through the permeable wall and into the soil, and chemically modifying a selected component of the soil using the reagent. The tubes can be in subsurface contact with soil, including groundwater, and can be placed with directional drilling equipment independent of groundwater well casings. The soil-modifying reagent includes a variety of gases, liquids, colloids, and adsorbents that may be reactive or non-reactive with soil components. The method may be used inter alia to form reactive barriers, control pests, and enhance soil nutrients for microbes and plants.

  5. Chemical reactivity of CVC and CVD SiC with UO2 at high temperatures

    SciTech Connect (OSTI)

    Silva, Chinthaka M; Katoh, Yutai; Voit, Stewart L; Snead, Lance Lewis

    2015-01-01

    Two types of silicon carbide (SiC) synthesized using two different vapor deposition processes were embedded in UO2 pellets and evaluated for their potential chemical reaction with UO2. While minor reactivity between chemical-vapor-composited (CVC) SiC and UO2 was observed at comparatively low temperatures of 1100 and 1300 C, chemical-vapor-deposited (CVD) SiC did not show any such reactivity, according to microstructural investigations. However, both CVD and CVC SiCs showed some reaction with UO2 at a higher temperature (1500 C). Elemental maps supported by phase maps obtained using electron backscatter diffraction indicated that CVC SiC was more reactive than CVD SiC at 1500 C. Furthermore, this investigation indicated the formation of uranium carbides and uranium silicide chemical phases such as UC, USi2, and U3Si2 as a result of SiC reaction with UO2.

  6. Reactivity worth measurements at the IPEN/MB-01 nuclear reactor

    SciTech Connect (OSTI)

    Pinto, Leticia Negrao; Santos, Adimir dos [Nuclear Engineering Center, Nuclear and Energy Research Institute- IPEN/CNEN-SP (Brazil)

    2013-05-06

    Researches that aim to improve the performance of neutron transport codes and quality of nuclear cross section databases are very important to increase the accuracy of simulations and the quality of the analysis and prediction of phenomena in the nuclear field. In this context, relevant experimental data such as reactivity worth measurements are needed. The objective of this work was to perform a series of experiments of reactivity worth measurements, using a digital reactivity meter developed at IPEN. The experiments employed small metallic and ceramic samples inserted in the central region of the core of the experimental IPEN/MB-01 reactor. The theoretical analysis was performed by the MCNP-5 reactor physics code, developed and maintained by Los Alamos National Laboratory, and the ENDF/B-VII.0 nuclear data library.

  7. ELECTROSTATIC PROBE DIAGNOSTICS ON THE LBL 10 AMPERE NEUTRAL BEAM ION SOURCE

    E-Print Network [OSTI]

    Schoenberg, Kurt F.

    2011-01-01

    Figure 22A and 22B plot plasma and arc parameters vs. arc= 53 kW. Figure 24A. Plasma potential, arc voltage, and arc6 - 5 T - l / s e c Plasma potential and arc voltage vs. arc

  8. Nanopore reactive adsorbents for the high-efficiency removal of waste species

    DOE Patents [OSTI]

    Yang, Arthur Jing-Min; Zhang, Yuehua

    2005-01-04

    A nanoporous reactive adsorbent incorporates a relatively small number of relatively larger reactant, e.g., metal, enzyme, etc., particles (10) forming a discontinuous or continuous phase interspersed among and surrounded by a continuous phase of smaller adsorbent particles (12) and connected interstitial pores (14) therebetween. The reactive adsorbent can effectively remove inorganic or organic impurities in a liquid by causing the liquid to flow through the adsorbent. For example, silver ions may be adsorbed by the adsorbent particles (12) and reduced to metallic silver by reducing metal, such as ions, as the reactant particles (10). The column can be regenerated by backwashing with the liquid effluent containing, for example, acetic acid.

  9. Chemical reactivity of potential ferrocyanide precipitates in Hanford tanks with nitrates and nitrites

    SciTech Connect (OSTI)

    Scheele, R.D.; Tingey, J.M.; Lilga, M.A.; Burger, L.L.; Hallen, R.T.

    1992-03-01

    Ferrocyanide-bearing wastes were produced at the Hanford Site during the 1950s. Safe storage of these wastes has recently drawn increased attention. As a result of these concerns, the Pacific Northwest Laboratory was chartered to investigate the chemical reactivity and explosivity of the ferrocyanide bearing wastes. WE have investigated the thermal sensitivity of synthetic wastes and ferrocyanides and observed oxidation at 130{degrees}C and explosions down to 295{degrees}C. Coupled with thermodynamic calculations, these thermal studies have also shown a dependence of the reactivity on the synthetic waste composition, which is dependent on the solids settling behavior.

  10. WSi2/Si Multilayer Sectioning by Reactive Ion Etching for Multilayer Laue Lens Fabrication

    SciTech Connect (OSTI)

    Bouet, N.; Conley, R.; Biancarosaa, J.; Divanc, R.; Macrander, A. T.

    2010-08-01

    SPIE Conference paper/talk presentation: Introduction: Reactive ion etching (RIE) has been employed in a wide range of fields such as semiconductor fabrication, MEMS (microelectromechanical systems), and refractive x-ray optics with a large investment put towards the development of deep RIE. Due to the intrinsic differing chemistries related to reactivity, ion bombardment, and passivation of materials, the development of recipes for new materials or material systems can require intense effort and resources. For silicon in particular, methods have been developed to provide reliable anisotropic profiles with good dimensional control and high aspect ratios1,2,3, high etch rates, and excellent material to mask etch selectivity...

  11. CASMO5/TSUNAMI-3D spent nuclear fuel reactivity uncertainty analysis

    SciTech Connect (OSTI)

    Ferrer, R.; Rhodes, J. [Studsvik Scandpower, Inc., 504 Shoup Ave., Idaho Falls, ID 83402 (United States); Smith, K. [Dept. of Nuclear Science and Engineering, Massachusetts Inst. of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States)

    2012-07-01

    The CASMO5 lattice physics code is used in conjunction with the TSUNAMI-3D sequence in ORNL's SCALE 6 code system to estimate the uncertainties in hot-to-cold reactivity changes due to cross-section uncertainty for PWR assemblies at various burnup points. The goal of the analysis is to establish the multiplication factor uncertainty similarity between various fuel assemblies at different conditions in a quantifiable manner and to obtain a bound on the hot-to-cold reactivity uncertainty over the various assembly types and burnup attributed to fundamental cross-section data uncertainty. (authors)

  12. Reactivity of low-valent nickel-1,3-BIS (o-Diphenylphosphinophenylthio) propane (arom-PSSP) with small molecules 

    E-Print Network [OSTI]

    Kang, Jeehee

    1997-01-01

    The reactivity of NiO(arom-PSSP) with small molecules was studied in comparison to the reactivity of NIO(PSSP) which was studied by previous members of our group. The low-valent nickel atom in this arom-PSSP ligand exhibited ...

  13. Measuring catchment-scale chemical retardation using spectral analysis of reactive and passive chemical tracer time series

    E-Print Network [OSTI]

    Kirchner, James W.

    Measuring catchment-scale chemical retardation using spectral analysis of reactive and passive for Ecology and Hydrology, McLean Building, Wallingford, Oxon OX10 8BB, UK Received 28 August 2002; revised 14, carrying soluble substances with it. Some chemical constituents are non- reactive; these act as passive

  14. Reactivity and stability of platinum and platinum alloy catalysts toward the oxygen reduction reaction 

    E-Print Network [OSTI]

    Calvo, Sergio Rafael

    2009-05-15

    Density functional theory (DFT) is used to study the reactivity of Pt and Pt-M (M: Pd, Co, Ni, V, and Rh) alloy catalysts towards the oxygen reduction reaction (ORR) as a function of the alloy overall composition and surface atomic distribution...

  15. Test Automation of SafetyCritical Reactive Systems J. Peleska \\Lambda M. Siegel y

    E-Print Network [OSTI]

    Peleska, Jan - Fachbereich 3

    of tests is only possible on the basis of formal specifications with well­defined semantics. JustTest Automation of Safety­Critical Reactive Systems J. Peleska \\Lambda M. Siegel y \\Lambda: mis@informatik.uni­kiel.de Abstract This article focuses on test automation for safety

  16. Reaction localization and softening of texturally hardened mylonites in a reactivated fault zone, central Argentina

    E-Print Network [OSTI]

    Whitmeyer, Steven J.

    , central Argentina S. J. WHITMEYER1 * AND R. P. WINTSCH2 1 Department of Earth Sciences, Boston University, central Argentina, experienced multiple ductile deformation and faulting events that involved a variety of replacement reactions in a partially open system. Key words: Argentina; reaction localization; reactivation

  17. Anisotropic Shock Sensitivity of Cyclotrimethylene Trinitramine (RDX) from Compress-and-Shear Reactive Dynamics

    E-Print Network [OSTI]

    Goddard III, William A.

    by Dick1-3 that a large single crystal of pentaerythritol tetranitrate (PETN) displays dramat- ically involving interfaces, impurities, and defects. For example, for PETN, the pressure threshold of detonation shock sensitivity of PETN5 using the ReaxFF reactive force field.6 Our simulations showed dramatically

  18. Compositional Reactive Semantics of SystemC and Verification with RuleBase

    E-Print Network [OSTI]

    Gupta, Rajesh

    C. Keywords: SystemC, semantics, verification, model checking 1 Introduction System-level modeling using for verification of SystemC com- ponents, providing a powerful workbench for testing and verification. 2 OverviewCompositional Reactive Semantics of SystemC and Verification with RuleBase Rudrapatna K

  19. PEV-based Reactive Power Compensation for Wind DG Units: A Stackelberg Game Approach

    E-Print Network [OSTI]

    Mohsenian-Rad, Hamed

    a multiple timescale dispatch for smart grid with integrated wind power. Wu et al. investigated how to utilize wind power integration into the power grid when aggregators use a linear pricing scheme in [4. Keywords--Distributed generation, wind power integration, plug-in electric vehicles, reactive power

  20. Reactive power control of grid-connected wind farm based on adaptive dynamic programming

    E-Print Network [OSTI]

    He, Haibo

    Reactive power control of grid-connected wind farm based on adaptive dynamic programming Yufei Tang and integration with the grid. This controller can effectively dampen the oscillation of the wind farm system under grid fault. In general, there are mainly three kinds of wind power generators: squirrel

  1. Elucidating Reactivity Differences in Palladium-Catalyzed Coupling Processes: The Chemistry of Palladium Hydrides

    E-Print Network [OSTI]

    Fu, Gregory C.

    Elucidating Reactivity Differences in Palladium-Catalyzed Coupling Processes: The Chemistry of Palladium Hydrides Ivory D. Hills and Gregory C. Fu* Department of Chemistry, Massachusetts Institute recently been described in the develop- ment of highly active palladium-based catalysts for cross

  2. Complex waftmeter measurements in a reactive acoustic T. K. Stantonand R. T. Beyer

    E-Print Network [OSTI]

    Stanton, Tim

    acoustic plane wave can be described by the time average of the product of the instantaneous pressure p and the particle vetocity v: /=(dr). (1) In the case of a progressive wave, this equation is also the expressionComplex waftmeter measurements in a reactive acoustic field T. K. Stantonand R. T. Beyer

  3. TO APPEAR IN IEEE TRANSACTION ON POWER SYSTEMS 1 Effect of Reactive Power Limit Modeling on

    E-Print Network [OSTI]

    Cañizares, Claudio A.

    , generator capability curves, maximum loadability, voltage stability, electrical energy markets, reactive such as shunt capacitors and Flexible AC Transmission System (FACTS) controllers (e.g. Static Var Compensators test systems, namely, the CIGRE-32 benchmark system and a 1211-bus dispatch model of a European network

  4. Human Transaldolase and Cross-Reactive Viral Epitopes Identified by Autoantibodies of Multiple Sclerosis Patients1

    E-Print Network [OSTI]

    Vajda, Sandor

    Banki,* and Andras Perl2 * Multiple sclerosis is mediated by an autoimmune process causing selectiveHuman Transaldolase and Cross-Reactive Viral Epitopes Identified by Autoantibodies of Multiple Sclerosis Patients1 Maria Esposito,* Vijay Venkatesh,* Laszlo Otvos, Zhiping Weng,§ Sandor Vajda,§ Katalin

  5. Passive Ozone Control Through Use of Reactive Indoor Wall and Ceiling Materials

    E-Print Network [OSTI]

    Siegel, Jeffrey

    Passive Ozone Control Through Use of Reactive Indoor Wall and Ceiling Materials Paper # 715 Donna A) Austin, TX 78758, USA ABSTRACT Most ozone exposure occurs indoors even though some surfaces consume ozone and reduce its concentration relative to outdoors. Ozone consumption often results in emissions of secondary

  6. Reactivity Controlled Compression Ignition (RCCI) Combustion on a Multi-Cylinder Light-Duty Diesel Engine

    SciTech Connect (OSTI)

    Curran, Scott; Hanson, Reed M; Wagner, Robert M

    2012-01-01

    Reactivity controlled compression ignition is a low-temperature combustion technique that has been shown, both in computational fluid dynamics modeling and single-cylinder experiments, to obtain diesel-like efficiency or better with ultra-low nitrogen oxide and soot emissions, while operating primarily on gasoline-like fuels. This paper investigates reactivity controlled compression ignition operation on a four-cylinder light-duty diesel engine with production-viable hardware using conventional gasoline and diesel fuel. Experimental results are presented over a wide speed and load range using a systematic approach for achieving successful steady-state reactivity controlled compression ignition combustion. The results demonstrated diesel-like efficiency or better over the operating range explored with low engine-out nitrogen oxide and soot emissions. A peak brake thermal efficiency of 39.0% was demonstrated for 2600 r/min and 6.9 bar brake mean effective pressure with nitrogen oxide emissions reduced by an order of magnitude compared to conventional diesel combustion operation. Reactivity controlled compression ignition emissions and efficiency results are compared to conventional diesel combustion operation on the same engine.

  7. Aalborg Universitet Autonomous Active and Reactive Power Distribution Strategy in Islanded Microgrids

    E-Print Network [OSTI]

    Vasquez, Juan Carlos

    Microgrids Wu, Dan; Tang, Fen; Guerrero, Josep M.; Quintero, Juan Carlos Vasquez; Chen, Guoliang; Sun, Libing). Autonomous Active and Reactive Power Distribution Strategy in Islanded Microgrids. In Proceedings of the 29th strategy in islanded microgrids," IEEE Applied Power Electronics Conference and Exposition, IEEE APEC 2014

  8. SPACE WEATHER AND THE INCIDENCE OF REACTIVE "OFF-COST" OPERATIONS IN THE PJM POWER GRID

    E-Print Network [OSTI]

    Schrijver, Karel

    space weather impacts the electricity market in the PJM power grid. The starting point of this paperSPACE WEATHER AND THE INCIDENCE OF REACTIVE "OFF-COST" OPERATIONS IN THE PJM POWER GRID 7.6 Kevin F the price of electricity in the PJM power grid. In this paper we examine one of the mechanisms by which

  9. Reactive barrier technologies for treatment of contaminated groundwater at Rocky Flats

    SciTech Connect (OSTI)

    Marozas, D.C.; Bujewski, G.E.; Castaneda, N.

    1997-12-31

    The U.S. Department of Energy (DOE) Office of Science and Technology Subsurface Contaminants Focus Area is supporting the investigation of reactive barrier technologies to mitigate the risks associated with mixed organic/radioactive waste at several DOE sites. Groundwater from a small contaminated plume at the Rocky Flats Environmental Technology Site (RFETS) is being used to evaluate passive reactive material treatment. Permeable reactive barriers which intercept contaminants and destroy the VOC component while containing radionuclides are attractive for a number of reasons relating to public and regulatory acceptance. In situ treatment keeps contaminants away from the earth`s surface, there is no above-ground treatment equipment that could expose workers and the public and operational costs are expected to be lower than currently used technologies. This paper will present results from preliminary site characterization and in-field small-scale column testing of reactive materials at RFETS. Successful demonstration is expected to lead to full-scale implementation of the technology at several DOE sites, including Rocky Flats.

  10. Rate constants from the reaction path Hamiltonian. I. Reactive flux simulations for dynamically correct rates

    E-Print Network [OSTI]

    Bell, Alexis T.

    As ab initio electronic structure calculations become more accurate, inherent sources of error, facilitate reactive flux calculations. As an example we compute the dynamically corrected rate constant on which the reaction occurs. A large number of electronic structure theo- ries are available

  11. Control rod calibration and reactivity effects at the IPEN/MB-01 reactor

    SciTech Connect (OSTI)

    Pinto, Letícia Negrão; Gonnelli, Eduardo; Santos, Adimir dos

    2014-11-11

    Researches that aim to improve the performance of neutron transport codes and quality of nuclear cross section databases are very important to increase the accuracy of simulations and the quality of the analysis and prediction of phenomena in the nuclear field. In this context, relevant experimental data such as reactivity worth measurements are needed. Control rods may be made of several neutron absorbing materials that are used to adjust the reactivity of the core. For the reactor operation, these experimental data are also extremely important: with them it is possible to estimate the reactivity worth by the movement of the control rod, understand the reactor response at each rod position and to operate the reactor safely. This work presents a temperature correction approach for the control rod calibration problem. It is shown the control rod calibration data of the IPEN/MB-01 reactor, the integral and differential reactivity curves and a theoretical analysis, performed by the MCNP-5 reactor physics code, developed and maintained by Los Alamos National Laboratory, using the ENDF/B-VII.0 nuclear data library.

  12. Bayesian Monte Carlo analysis applied to regional-scale inverse emission modeling for reactive trace gases

    E-Print Network [OSTI]

    Menut, Laurent

    the a priori uncertainties in anthropogenic NOx and volatile organic compounds (VOC) emissions: (1) The a posteriori probability density function (pdf) for NOx emissions is not modified in its averageBayesian Monte Carlo analysis applied to regional-scale inverse emission modeling for reactive

  13. Design of Extraction Column Methanol Recovery System for the TAME Reactive Distillation Process

    E-Print Network [OSTI]

    Al-Arfaj, Muhammad A.

    Design of Extraction Column Methanol Recovery System for the TAME Reactive Distillation Process, Dhahran, 31261, Saudi Arabia Abstract This paper studies the synthesis and the design of methanol recovery that methanol could be recovered completely from the hydrocarbon when 5 equilibrium trays in the extraction

  14. The Reactivity Limit for Methanol Oxidation on Platinum/Ruthenium Catalysts

    E-Print Network [OSTI]

    The Reactivity Limit for Methanol Oxidation on Platinum/Ruthenium Catalysts A. Wieckowski 0.5 1.0 1.5 2.0 2.5 3.0 Pt/Ru Decorated (UIUC) PtRu Alloy (JM) E = 0.4 V Oxidation in 0.5 M Methanol

  15. Reactivity Boundaries to Separate the Fate of a Chemical Reaction Associated with Multiple Saddles

    E-Print Network [OSTI]

    Yutaka Nagahata; Hiroshi Teramoto; Chun-Biu Li; Shinnosuke Kawai; Tamiki Komatsuzaki

    2013-08-15

    Reactivity boundaries that divide the origin and destination of trajectories are crucial of importance to reveal the mechanism of reactions, which was recently found to exist robustly even at high energies for index-one saddles [Phys. Rev. Lett. 105, 048304 (2010)]. Here we revisit the concept of the reactivity boundary and propose a more general definition that can involve a single reaction associated with a bottleneck made up of higher index saddles and/or several saddle points with different indices, where the normal form theory, based on expansion around a single stationary point, does not work. We numerically demonstrate the reactivity boundary by using a reduced model system of the $H^+_5$ cation where the proton exchange reaction takes place through a bottleneck made up of two index-two saddle points and two index-one saddle points. The cross section of the reactivity boundary in the reactant region of the phase space reveals which initial conditions are effective in making the reaction happen, and thus sheds light on the reaction mechanism.

  16. Adaptive Accelerated ReaxFF Reactive Dynamics with Validation from Simulating Hydrogen Combustion

    E-Print Network [OSTI]

    Goddard III, William A.

    Adaptive Accelerated ReaxFF Reactive Dynamics with Validation from Simulating Hydrogen Combustion concept (BB), which we validate here for describing hydrogen combustion. The bond order, undercoordination determined the detailed sequence of reactions for hydrogen combustion with and without the BB. We validate

  17. Styrene Clusters in a Supersonic Jet: Reactive and Nonreactive Systems S. Kendler and Y. Haas*

    E-Print Network [OSTI]

    Haas, Yehuda

    Styrene Clusters in a Supersonic Jet: Reactive and Nonreactive Systems S. Kendler and Y. Haas of styrene with several atoms and small molecules were prepared and studied in a supersonic jet by laser) by recording the excess energy at which fluorescence from the cluster disappears and styrene fluorescence

  18. Benchmarking a Visual-Basic based multi-component one-dimensional reactive transport modeling tool

    E-Print Network [OSTI]

    Clement, Prabhakar

    Benchmarking a Visual-Basic based multi-component one-dimensional reactive transport modeling tool Jagadish Torlapati 1 , T. Prabhakar Clement n Department of Civil Engineering, Auburn University, Auburn transport Bioremediation Geochemical transport Numerical model a b s t r a c t We present the details

  19. THE EFFECT OF WATER TABLE ELEVATION ON ACID MINE DRAINAGE FROM REACTIVE TAILINGS

    E-Print Network [OSTI]

    Aubertin, Michel

    THE EFFECT OF WATER TABLE ELEVATION ON ACID MINE DRAINAGE FROM REACTIVE TAILINGS: A LABORATORY table can be very effective in reducing the production of acid mine drainage. ______________________ 1 Paper presented at the 7th International Conference on Acid Rock Drainage (ICARD), March 26-30, 2006, St

  20. High Performance Computations of Subsurface Reactive Transport Processes at the Pore Scale

    E-Print Network [OSTI]

    such as carbon sequestration drive the geochemistry of porous media far from equilibrium in relatively short time in reservoir scale models. In the DOE Energy Frontier Research Center for Nanoscale Control of Geologic Carbon such as reactive surface area or reaction rates as they affect CO2 sequestration, with an objective of upscaling

  1. Modeling of Hydrogen Storage Materials: A Reactive Force Field for NaH

    E-Print Network [OSTI]

    Goddard III, William A.

    range transport mechanism of Al during the dissociation process. Briefly, the conventional (de to accurately predict the dynamical and reactive processes in hydrocarbons [2], sihcon/sihcon oxides [3 for hydrocarbons[5], ReaxFF has been successfully applied to study Si/Si02 interfaces[3], MgH2 systems and Al

  2. Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel

    E-Print Network [OSTI]

    Goddard III, William A.

    nickel has also been used extensively to catalyze the formation and growth of carbon nanotubes from by Nickel Jonathan E. Mueller, Adri C. T. van Duin, and William A. Goddard III*, Materials and Process reactions catalyzed by nickel surfaces and particles using reactive molecular dynamics on thousands of atoms

  3. Synthesis and reactivity of molybdenum organometallic complexes supported by amide ligands

    E-Print Network [OSTI]

    Hock, Adam S. (Adam Scott)

    2007-01-01

    Chapter 1. Synthesis and Reactivity of Molybdenum Alkyl Complexes Supported by a Diamidoamine Ligand. The synthesis of a new diamidoamine ligand, CH3N[CH2CH2NH(3-(CF3)C6H4)]2 (H2L) is reported. Molybdenum complexes of the ...

  4. Design of a permeable reactive barrier in situ remediation system, Vermont site

    SciTech Connect (OSTI)

    Hayes, J.J. [EMCON, Burlington, VT (United States); Marcus, D.L. [EMCON, Burbank, CA (United States)

    1997-12-31

    EMCON designed a Permeable Reactive Barrier (PRB) for a site in Vermont to passively remediate in situ groundwater impacted with chlorinated volatile organic compounds (CVOCs). The PRB was selected over more conventional remediation approaches because it is a potentially low maintenance and long lasting solution for containment of groundwater impacts. Iron media are used as an agent to produce reductive dehalogenation reactions that break down the CVOCs. At the Vermont site, impacted groundwater is found from approximately 1.3 to 4.3 meters (4 to 14 feet) below ground surface in the uppermost aquifer, which is underlain by a silty clay aquitard. These are virtually optimum conditions for the implementation of this kind of technology. Effective design of the PRB required site specific hydrogeologic, geochemical, and geotechnical data, a substantial amount that was already available and some which was collected during the recent Corrective Action Feasibility Investigation (CAFI). Most PRBs have been constructed using sheet pilings to shore excavations backfilled by iron filings. On the Vermont project, continuous trenching is proposed to install HDPE sheeting for the funnel and alternative reactive media may be used in the reactive gates. The Funnel and Gate{trademark} system is being designed to regulate flow velocity through the gate to yield critical contact time between the CVOCs and the reactive media.

  5. Uranium Tris-aryloxide Derivatives Supported by Triazacyclononane: Engendering a Reactive Uranium(III)

    E-Print Network [OSTI]

    Meyer, Karsten

    Uranium Tris-aryloxide Derivatives Supported by Triazacyclononane: Engendering a Reactive Uranium-mail: kmeyer@ucsd.edu Abstract: The synthesis and spectroscopic characterization of the mononuclear uranium complex [((ArO)3tacn)UIII (NCCH3)] is reported. The uranium(III) complex reacts with organic azides

  6. ADVANCING REACTIVE TRACER METHODS FOR MONITORING THERMAL DRAWDOWN IN GEOTHERMAL ENHANCED GEOTHERMAL RESERVOIRS

    SciTech Connect (OSTI)

    Mitchell A. Plummer; Carl D. Palmer; Earl D. Mattson; George D. Redden; Laurence C. Hull

    2010-10-01

    Reactive tracers have long been considered a possible means of measuring thermal drawdown in a geothermal system, before significant cooling occurs at the extraction well. Here, we examine the sensitivity of the proposed method to evaluate reservoir cooling and demonstrate that while the sensitivity of the method as generally proposed is low, it may be practical under certain conditions.

  7. A Dynamic Model for Induced Reactivation of Latent Virus G.M. Kepler1,5

    E-Print Network [OSTI]

    that inducing agents such as Tetradecanoyl Phorbol Acetate (TPA), sodium butyrate, and other short chain fatty is applied to the reactivation of latent KSHV in BCBL-1 cell cultures with butyrate as the inducing agent acids (SFAs) can induce lytic replication of Kaposi's Sarcoma-associated Herpes virus (KSHV) and Epstein

  8. EV/PHEV Bidirectional Charger Assessment for V2G Reactive Power Operation

    SciTech Connect (OSTI)

    Kisacikoglu, Mithat C; Ozpineci, Burak; Tolbert, Leon M

    2013-01-01

    This paper presents a summary of the available single-phase ac-dc topologies used for EV/PHEV, level-1 and -2 on-board charging and for providing reactive power support to the utility grid. It presents the design motives of single-phase on-board chargers in detail and makes a classification of the chargers based on their future vehicle-to-grid usage. The pros and cons of each different ac-dc topology are discussed to shed light on their suitability for reactive power support. This paper also presents and analyzes the differences between charging-only operation and capacitive reactive power operation that results in increased demand from the dc-link capacitor (more charge/discharge cycles and increased second harmonic ripple current). Moreover, battery state of charge is spared from losses during reactive power operation, but converter output power must be limited below its rated power rating to have the same stress on the dc-link capacitor.

  9. A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

    E-Print Network [OSTI]

    Zhigilei, Leonid V.

    for hydrocarbons This article has been downloaded from IOPscience. Please scroll down to see the full text article-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons Donald W Brenner1 , Olga, lengths, and force constants for hydrocarbon molecules, as well as elastic properties, interstitial defect

  10. STOMP-ECKEChem: An Engineering Perspective on Reactive Transport in Geologic Media

    SciTech Connect (OSTI)

    White, Mark D.; Fang, Yilin

    2012-04-04

    ECKEChem (Equilibrium, Conservation, Kinetic Equation Chemistry) is a reactive transport module for the STOMP suite of multifluid subsurface flow and transport simulators that was developed from an engineering perspective. STOMP comprises a suite of operational modes that are distinguished by the solved coupled conservation equations with capabilities for a variety of subsurface applications (e.g., environmental remediation and stewardship, geologic sequestration of greenhouse gases, gas hydrate production, and oil shale production). The ECKEChem module was designed to provide integrated reactive transport capabilities across the suite of STOMP simulator operational modes. The initial application for the ECKEChem module was in the simulation of the mineralization reactions that occurred with the injection of supercritical carbon dioxide into deep Columbia River basalt formations, where it was implemented in the STOMP-CO2 simulator. The STOMP-ECKEChem solution approach to modeling reactive transport in multifluid geologic media is founded on an engineering perspective: (1) sequential non-iterative coupling between the flow and reactive transport is sufficient, (2) reactive transport can be modeled by operator splitting with local geochemistry and global transport, (3) geochemistry can be expressed as a system of coupled nonlinear equilibrium, conservation and kinetic equations, (4) a limited number of kinetic equation forms are used in geochemical practice. This chapter describes the conceptual approach to converting a geochemical reaction network into a series of equilibrium, conservation and kinetic equations, the implementation of ECKEChem in STOMP, the numerical solution approach, and a demonstration of the simulator on a complex application involving desorption of uranium from contaminated field-textured sediments.

  11. Overview on backfill materials and permeable reactive barriers for nuclear waste disposal facilities.

    SciTech Connect (OSTI)

    Moore, Robert Charles; Hasan, Ahmed Ali Mohamed; Holt, Kathleen Caroline; Hasan, Mahmoud A. (Egyptian Atomic Energy Authority, Cairo, Egypt)

    2003-10-01

    A great deal of money and effort has been spent on environmental restoration during the past several decades. Significant progress has been made on improving air quality, cleaning up and preventing leaching from dumps and landfills, and improving surface water quality. However, significant challenges still exist in all of these areas. Among the more difficult and expensive environmental problems, and often the primary factor limiting closure of contaminated sites following surface restoration, is contamination of ground water. The most common technology used for remediating ground water is surface treatment where the water is pumped to the surface, treated and pumped back into the ground or released at a nearby river or lake. Although still useful for certain remediation scenarios, the limitations of pump-and-treat technologies have recently been recognized, along with the need for innovative solutions to ground-water contamination. Even with the current challenges we face there is a strong need to create geological repository systems for dispose of radioactive wastes containing long-lived radionuclides. The potential contamination of groundwater is a major factor in selection of a radioactive waste disposal site, design of the facility, future scenarios such as human intrusion into the repository and possible need for retrieving the radioactive material, and the use of backfills designed to keep the radionuclides immobile. One of the most promising technologies for remediation of contaminated sites and design of radioactive waste repositories is the use of permeable reactive barriers (PRBs). PRBs are constructed of reactive material(s) to intercept and remove the radionuclides from the water and decontaminate the plumes in situ. The concept of PRBs is relatively simple. The reactive material(s) is placed in the subsurface between the waste or contaminated area and the groundwater. Reactive materials used thus far in practice and research include zero valent iron, hydroxyapatite, magnesium oxide, and others. As the contaminant moves through the reactive material, the contaminant is either sorbed by the reactive material or chemically reacts with the material to form a less harmful substance. Because of the high risk associated with failure of a geological repository for nuclear waste, most nations favor a near-field multibarrier engineered system using backfill materials to prevent release of radionuclides into the surrounding groundwater.

  12. Evaluation of a permeable reactive barrier technology for use at Rocky Flats Environmental Technology Site (RFETS)

    SciTech Connect (OSTI)

    DWYER,BRIAN P.

    2000-01-01

    Three reactive materials were evaluated at laboratory scale to identify the optimum treatment reagent for use in a Permeable Reactive Barrier Treatment System at Rocky Flats Environmental Technology Site (RFETS). The contaminants of concern (COCS) are uranium, TCE, PCE, carbon tetrachloride, americium, and vinyl chloride. The three reactive media evaluated included high carbon steel iron filings, an iron-silica alloy in the form of a foam aggregate, and a peculiar humic acid based sorbent (Humasorb from Arctech) mixed with sand. Each material was tested in the laboratory at column scale using simulated site water. All three materials showed promise for the 903 Mound Site however, the iron filings were determined to be the least expensive media. In order to validate the laboratory results, the iron filings were further tested at a pilot scale (field columns) using actual site water. Pilot test results were similar to laboratory results; consequently, the iron filings were chosen for the fill-scale demonstration of the reactive barrier technology. Additional design parameters including saturated hydraulic conductivity, treatment residence time, and head loss across the media were also determined and provided to the design team in support of the final design. The final design was completed by the Corps of Engineers in 1997 and the system was constructed in the summer of 1998. The treatment system began fill operation in December, 1998 and despite a few problems has been operational since. Results to date are consistent with the lab and pilot scale findings, i.e., complete removal of the contaminants of concern (COCs) prior to discharge to meet RFETS cleanup requirements. Furthermore, it is fair to say at this point in time that laboratory developed design parameters for the reactive barrier technology are sufficient for fuel scale design; however,the treatment system longevity and the long-term fate of the contaminants are questions that remain unanswered. This project along with others such as the Durango, CO and Monticello, UT reactive barriers will provide the data to determine the long-term effectiveness and return on investment (ROI) for this technology for comparison to the baseline pump and treat.

  13. Experimental investigation of piston heat transfer under conventional diesel and reactivity-controlled compression ignition combustion regimes

    SciTech Connect (OSTI)

    Splitter, Derek A [ORNL; Hendricks, Terry Lee [Sandia National Laboratories (SNL); Ghandhi, Jaal B [University of Wisconsin

    2014-01-01

    The piston of a heavy-duty single-cylinder research engine was instrumented with 11 fast-response surface thermocouples, and a commercial wireless telemetry system was used to transmit the signals from the moving piston. The raw thermocouple data were processed using an inverse heat conduction method that included Tikhonov regularization to recover transient heat flux. By applying symmetry, the data were compiled to provide time-resolved spatial maps of the piston heat flux and surface temperature. A detailed comparison was made between conventional diesel combustion and reactivity-controlled compression ignition combustion operations at matched conditions of load, speed, boost pressure, and combustion phasing. The integrated piston heat transfer was found to be 24% lower, and the mean surface temperature was 25 C lower for reactivity-controlled compression ignition operation as compared to conventional diesel combustion, in spite of the higher peak heat release rate. Lower integrated piston heat transfer for reactivity-controlled compression ignition was found over all the operating conditions tested. The results showed that increasing speed decreased the integrated heat transfer for conventional diesel combustion and reactivity-controlled compression ignition. The effect of the start of injection timing was found to strongly influence conventional diesel combustion heat flux, but had a negligible effect on reactivity-controlled compression ignition heat flux, even in the limit of near top dead center high-reactivity fuel injection timings. These results suggest that the role of the high-reactivity fuel injection does not significantly affect the thermal environment even though it is important for controlling the ignition timing and heat release rate shape. The integrated heat transfer and the dynamic surface heat flux were found to be insensitive to changes in boost pressure for both conventional diesel combustion and reactivity-controlled compression ignition. However, for reactivity-controlled compression ignition, the mean surface temperature increased with changes in boost suggesting that equivalence ratio affects steady-state heat transfer.

  14. Effect of limestone reactivity on the digestibility of nutrients in sorghum based diets fed to lactating Holstein cows 

    E-Print Network [OSTI]

    Malasri, Kriangchitt Banphabutr

    1981-01-01

    University, for providing limestone reactivity data, to Mr. Gary Morris of the Iowa Limestone Company for pro- viding limestones and to Dr. Charles E. Gates, Mr. Phil Spector, Mr. Angel A. Custodio and Dr. H. Joseph Newton for help in statistical design...-concentrate-WCS ratio on a dry basis. The concentrate composition is in Table 1. Table 2 shows different reactivities of limestone mixed in the concentrates. According to the data on reactivity measurements in Table 2, limestone 2 is the best, lime- -stone 1...

  15. DIESEL OXIDATION CATALYST CONTROL OF HYDROCARBON AEROSOLS FROM REACTIVITY CONTROLLED COMPRESSION IGNITION COMBUSTION

    SciTech Connect (OSTI)

    Prikhodko, Vitaly Y; Parks, II, James E; Barone, Teresa L; Curran, Scott; Cho, Kukwon; Lewis Sr, Samuel Arthur; Storey, John Morse; Wagner, Robert M

    2011-01-01

    Reactivity Controlled Compression Ignition (RCCI) is a novel combustion process that utilizes two fuels with different reactivity to stage and control combustion and enable homogeneous combustion. The technique has been proven experimentally in previous work with diesel and gasoline fuels; low NOx emissions and high efficiencies were observed from RCCI in comparison to conventional combustion. In previous studies on a multi-cylinder engine, particulate matter (PM) emission measurements from RCCI suggested that hydrocarbons were a major component of the PM mass. Further studies were conducted on this multi-cylinder engine platform to characterize the PM emissions in more detail and understand the effect of a diesel oxidation catalyst (DOC) on the hydrocarbon-dominated PM emissions. Results from the study show that the DOC can effectively reduce the hydrocarbon emissions as well as the overall PM from RCCI combustion. The bimodal size distribution of PM from RCCI is altered by the DOC which reduces the smaller mode 10 nm size particles.

  16. Apparatus and method for atmospheric pressure reactive atom plasma processing for shaping of damage free surfaces

    DOE Patents [OSTI]

    Carr; Jeffrey W. (Livermore, CA)

    2009-03-31

    Fabrication apparatus and methods are disclosed for shaping and finishing difficult materials with no subsurface damage. The apparatus and methods use an atmospheric pressure mixed gas plasma discharge as a sub-aperture polisher of, for example, fused silica and single crystal silicon, silicon carbide and other materials. In one example, workpiece material is removed at the atomic level through reaction with fluorine atoms. In this example, these reactive species are produced by a noble gas plasma from trace constituent fluorocarbons or other fluorine containing gases added to the host argon matrix. The products of the reaction are gas phase compounds that flow from the surface of the workpiece, exposing fresh material to the etchant without condensation and redeposition on the newly created surface. The discharge provides a stable and predictable distribution of reactive species permitting the generation of a predetermined surface by translating the plasma across the workpiece along a calculated path.

  17. Plasma chemistry fluctuations in a reactive arc plasma in the presence of magnetic fields

    SciTech Connect (OSTI)

    Rosen, J.; Anders, A.; Schneider, J.M.

    2002-01-13

    The effect of a magnetic field on the plasma chemistry and pulse-to-pulse fluctuations of cathodic arc ion charge state distributions in a reactive environment were investigated. The plasma composition was measured by time-of-flight charge-to-mass spectrometry. The fluctuation of the concentrations of Al+, Al2+ and Al3+ was found to increase with an increasing magnetic field strength. We suggest that this is caused by magnetic field dependent fluctuations of the energy input into cathode spots as seen through fluctuations of the cathode potential. These results are qualitatively consistent with the model of partial local Saha equilibrium and are of fundamental importance for the evolution of the structure of films deposited by reactive cathodic arc deposition.

  18. Method of extruding and packaging a thin sample of reactive material, including forming the extrusion die

    DOE Patents [OSTI]

    Lewandowski, E.F.; Peterson, L.L.

    1981-11-30

    This invention teaches a method of cutting a narrow slot in an extrusion die with an electrical discharge machine by first drilling spaced holes at the ends of where the slot will be, whereby the oil can flow through the holes and slot to flush the material eroded away as the slot is being cut. The invention further teaches a method of extruding a very thin ribbon of solid highly reactive material such as lithium or sodium through the die in an inert atmosphere of nitrogen, argon, or the like as in a glovebox. The invention further teaches a method of stamping out sample discs from the ribbon and of packaging each disc by sandwiching it between two aluminum sheets and cold welding the sheets together along an annular seam beyond the outer periphery of the disc. This provides a sample of high purity reactive material that can have a long shelf life.

  19. Method of extruding and packaging a thin sample of reactive material including forming the extrusion die

    DOE Patents [OSTI]

    Lewandowski, Edward F. (Westmont, IL); Peterson, Leroy L. (Joliet, IL)

    1985-01-01

    This invention teaches a method of cutting a narrow slot in an extrusion die with an electrical discharge machine by first drilling spaced holes at the ends of where the slot will be, whereby the oil can flow through the holes and slot to flush the material eroded away as the slot is being cut. The invention further teaches a method of extruding a very thin ribbon of solid highly reactive material such as lithium or sodium through the die in an inert atmosphere of nitrogen, argon or the like as in a glovebox. The invention further teaches a method of stamping out sample discs from the ribbon and of packaging each disc by sandwiching it between two aluminum sheets and cold welding the sheets together along an annular seam beyond the outer periphery of the disc. This provides a sample of high purity reactive material that can have a long shelf life.

  20. Hydrogen absorption characteristics of amorphous LaNi[sub 5. 0] films prepared by reactive sputtering

    SciTech Connect (OSTI)

    Sakaguchi, H.; Tsujimoto, T.; Adachi, Ginya (Osaka University, Suita (Japan))

    1993-01-01

    Amorphous LaNi[sub 5] thin films are expected to be one of the promising materials for use in hydrogen separation and battery electrodes, because the durability of the films is great in regard to the hydrogen absorption-desorption cycling process and the films have excellent resistance to harmful impurities in the hydrogen gas in comparison with the crystalline bulk material. An amorphous LaNi[sub 5.0] film having high hydrogen density and low hydrogen-induced stress was obtained by means of a reactive sputtering method using an Ar-H[sub 2] gas mixture. Pressure-composition isotherms show that the amount of hydrogen (H/LaNi[sub 5.0]) taken up by a formula weight of LaNi[sub 5.0] is about 1.5 times larger for the reactive sputtered film than for the conventional sputtered film prepared by using Ar gas. 18 refs., 1 fig, 1 tabs.

  1. Catalytic and reactive polypeptides and methods for their preparation and use

    DOE Patents [OSTI]

    Schultz, Peter (Oakland, CA)

    1994-01-01

    Catalytic and reactive polypeptides include a binding site specific for a reactant or reactive intermediate involved in a chemical reaction of interest. The polypeptides further include at least one active functionality proximate the binding site, where the active functionality is capable of catalyzing or chemically participating in the chemical reaction in such a way that the reaction rate is enhanced. Methods for preparing the catalytic peptides include chemical synthesis, site-directed mutagenesis of antibody and enzyme genes, covalent attachment of the functionalities through particular amino acid side chains, and the like. This invention was made with Government support under Grant Contract No. AI-24695, awarded by the Department of health and Human Services, and under Grant Contract No. N 00014-87-K-0256, awarded by the Office of Naval Research. The Government has certain rights in this invention.

  2. Chapter 7.22 SPTS ICP-SR Deep Reactive Ion Etch

    E-Print Network [OSTI]

    Healy, Kevin Edward

    Chapter 7.22 SPTS ICP-SR Deep Reactive Ion Etch (sts2) (584) 1.0 Equipment Purpose 1.1 The STS2 ICP to achieve high aspect ratios. The system can be used for deep Si trench etching of a single 6-inch (150 mm) substrate. The process chamber is configured for deep Si trench etching. The plasma is inductively coupled

  3. Reactive Power Laboratory: Synchronous Condenser Testing&Modeling Results - Interim Report

    SciTech Connect (OSTI)

    Henry, SD

    2005-09-27

    The subject report documents the work carried out by Oak Ridge National Laboratory (ORNL) during months 5-7 (May-July 2005) of a multi-year research project. The project has the overall goal of developing methods of incorporating distributed energy (DE) that can produce reactive power locally and for injecting into the distribution system. The objective for this new type of DE is to be able to provide voltage regulation and dynamic reactive power reserves without the use of extensive communication and control systems. The work performed over this three-month period focused on four aspects of the overall objective: (1) characterization of a 250HP (about 300KVAr) synchronous condenser (SC) via test runs at the ORNL Reactive Power Laboratory; (2) development of a data acquisition scheme for collecting the necessary voltage, current and power readings at the synchronous condenser and on the distribution system; (3) development of algorithms for analyzing raw test data from the various test runs; and (4) validation of a steady-state model for the synchronous condenser via the use of a commercial software package to study its effects on the ORNL 13.8/2.4kV distribution network.

  4. In situ formation of magnetite reactive barriers in soil for waste stabilization

    DOE Patents [OSTI]

    Moore, Robert C. (Edgewood, NM)

    2003-01-01

    Reactive barriers containing magnetite and methods for making magnetite reactive barriers in situ in soil for sequestering soil contaminants including actinides and heavy metals, organic materials, iodine and technetium are disclosed. According to one embodiment, a two-step reagent introduction into soil takes place. In the first step, free oxygen is removed from the soil by separately injecting into the soil aqueous solutions of iron (II) salt, for example FeCl.sub.2, and base, for example NaOH or NH.sub.3 in about a 1:1 volume ratio. Then, in the second step, similar reagents are injected a second time (however, according to about a 1:2 volume ratio, iron to salt) to form magnetite. The magnetite formation is facilitated, in part, due to slow intrusion of oxygen into the soil from the surface. The invention techniques are suited to injection of reagents into soil in proximity to a contamination plume or source allowing in situ formation of the reactive barrier at the location of waste or hazardous material. Mixing of reagents to form. precipitate is mediated and enhanced through movement of reagents in soil as a result of phenomena including capillary action, movement of groundwater, soil washing and reagent injection pressure.

  5. Interactions between ingredients in IMX-101: Reactive Chemical Processes Control Insensitive Munitions Properties

    SciTech Connect (OSTI)

    Maharrey, Sean P.; Wiese-Smith, Deneille; Highley, Aaron M.; Behrens, Richard; Kay, Jeffrey J

    2014-03-01

    Simultaneous Thermogravimetric Modulated Beam Mass Spectrometry (STMBMS) measurements have been conducted on a new Insensitive Munitions (IM) formulation. IMX-101 is the first explosive to be fully IM qualified under new NATO STANAG guidelines for fielded munitions. The formulation uses dinitroanisole (DNAN) as a new melt cast material to replace TNT, and shows excellent IM performance when formulated with other energetic ingredients. The scope of this work is to explain this superior IM performance by investigating the reactive processes occurring in the material when subjected to a well-controlled thermal environment. The dominant reactive processes observed were a series of complex chemical interactions between the three main ingredients (DNAN, NQ, and NTO) that occurs well below the onset of the normal decomposition process of any of the individual ingredients. This process shifts the thermal response of the formulations to a much lower temperature, where the kinetically controlled reaction processes are much slower. This low temperature shift has the effect of allowing the reactions to consume the reactive solids (NQ, NTO) well before the reaction rates increase and reach thermal runaway, resulting in a relatively benign response to the external stimuli. The main findings on the interaction processes are presented.

  6. Effect of temperature on quantitative structure/reactivity correlations for hydrocracking polynuclear aromatics

    SciTech Connect (OSTI)

    Korre, S.C.; Klein, M.T. [Univ. of Delaware, Newark, DE (United States); Quann, R.J. [Mobil Research and Development Corp., Paulsboro, NJ (United States)

    1995-12-31

    The hydrocracking reactions of phenanthrene and naphthalene were studied over a NiW/USY catalyst in a 1L batch autoclave at 68.1 bar hydrogen partial pressure, in the temperature interval 300{degrees}C-370{degrees}C. Parameter estimation to their hydrocracking pathways using a Langmuir-Hinshelwood-Hougen-Watson rate expression led to quantitative reaction networks. The variation in temperature offered information on 576 Arrhenius and van`t`Hoff parameters for rate, equilibrium, and adsorption constants. The number of parameters was reduced by the development of temperature-independent structure/reactivity correlations. A positive correlation was revealed between activation energies and pre-exponential factors for both isomerization and ring opening reactions. A compensation correlation for the calculation of standard isomerization and ring opening entropies was formulated based on the corresponding standard enthalpies. A total of 576 rate, equilibrium and adsorption parameters were thus summarized into just 18 Quantitative Structure/Reactivity Correlations parameters. Such correlations may provide a reasonable first-order estimate of parameters for molecules with known structure but unknown reactivity, with the use of simple semi-empirical molecular orbital calculations.

  7. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent. Quarterly technical progress report 4, July--September 1987

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1987-10-27

    AMAX Research & Development Center (AMAX R&D) has been investigating methods for improving the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hog coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. The reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point in a bench-scale fixed-bed reactor. The durability may be defined as the ability of the sorbent to maintain its reactivity and other important physical characteristics such as size, strength, and specific surface area during 10 cycles of sulfidation and regeneration. Two base case sorbents, spherical pellets and cylindrical extrudes used in related METC sponsored projects, are being used to provide a basis for the comparison of physical characteristics and chemical reactivity.

  8. Fabrication of planar quantum magnetic disk structure using electron beam lithography, reactive ion etching, and chemical mechanical polishing

    E-Print Network [OSTI]

    's size and location, and reactive ion etching was used to form an SiO2 template. Nickel electroplating an electroplating process for fabricating nanoscale magnetic structures.2 In this article, we will present a QMD

  9. Comparison of Conventional Diesel and Reactivity Controlled Compression Ignition (RCCI) Combustion in a Light-Duty Engine

    Broader source: Energy.gov [DOE]

    CFD modeling was used to compare conventional diesel and dual-fuel Reactivity Controlled Compression Ignition combustion at US Tier 2 Bin 5 NOx levels, while accounting for Diesel Exhaust Fluid needed to meet NOx constraints with aftertreatment.

  10. Reactivity Boundaries to Separate the Fate of a Chemical Reaction Associated with an Index-two saddle

    E-Print Network [OSTI]

    Yutaka Nagahata; Hiroshi Teramoto; Chun-Biu Li; Shinnosuke Kawai; Tamiki Komatsuzaki

    2013-05-16

    Reactivity boundaries that divide the destination and the origin of trajectories are of crucial importance to reveal the mechanism of reactions. We investigate whether such reactivity boundaries can be extracted for higher index saddles in terms of a nonlinear canonical transformation successful for index-one saddles by using a model system with an index-two saddle. It is found that the true reactivity boundaries do not coincide with those extracted by the transformation taking into account a nonlinearity in the region of the saddle even for small perturbations, and the discrepancy is more pronounced for the less repulsive direction of the index-two saddle system. The present result indicates an importance of the global properties of the phase space to identify the reactivity boundaries, relevant to the question of what reactant and product are in phase space, for saddles with index more than one.

  11. Effect of Ancillary Ligands on the Reactivity and Structure of Zinc Polysulfido Complexes Robert J. Pafford and Thomas B. Rauchfuss*

    E-Print Network [OSTI]

    Rauchfuss, Thomas B.

    Effect of Ancillary Ligands on the Reactivity and Structure of Zinc Polysulfido Complexes Robert J in ancillary ligands. This aspect has not been examined previously, but the present work shows that ancillary

  12. Synthesis and Reactivity of Unusual Palladium (II) Complexes Supported by a Diarylamido/BIS(Phosphine) PNP Pincer Ligand 

    E-Print Network [OSTI]

    Huacuja, Rafael

    2014-01-17

    This dissertation discusses the synthesis and reactivity of divalent palladium complexes supported by diarylamido bis-phosphine pincer ligands (PNP). The PNP is a tridentate pincer type ligand which typically adopts meridional type coordination...

  13. Efficient and Reliable Reactive Power Supply and Consumption --Insights from an Integrated Program of Engineering and EconomicResearch

    SciTech Connect (OSTI)

    Thomas, Robert J.; Mount, Timothy D.; Schuler, Richard; Schulze,William; Zimmerman, Ray; Alvarado, Fernando; Lesieutre, Bernard C.; Overholt, Philip N.; Eto, Joseph H.

    2008-01-01

    In 2005, the Federal Energy Regulatory Commission (FERC) began discussing regulatory policy for reactive-power procurement and pricing in competitive electricity markets. This paper summarizes findings from a unique, interdisciplinary program of public-interest research that lays a formal foundation for evaluating aspects of FERC staff recommendations and offers early insights that should be useful in guiding policy implementation, specifically by: (1) clarifying the consumers and economic characteristics of reactive power as a basis for creating incentives to appropriately price it, (2) defining specific challenges in creating a competitive market for reactive power as well as new tools needed to help ensure such a market functions efficiently, and (3) demonstrating the importance of accounting for the physical characteristics of the transmission network in planning for reactive power and avoiding the exercise of market power by suppliers.

  14. Elastic properties of B-C-N films grown by N{sub 2}-reactive sputtering from boron carbide targets

    SciTech Connect (OSTI)

    Salas, E.; Jiménez Riobóo, R. J.; Jiménez-Villacorta, F.; Prieto, C.; Sánchez-Marcos, J.; Dept. Química-Física Aplicada, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid ; Muñoz-Martín, A.; Prieto, J. E.; Joco, V.

    2013-12-07

    Boron-carbon-nitrogen films were grown by RF reactive sputtering from a B{sub 4}C target and N{sub 2} as reactive gas. The films present phase segregation and are mechanically softer than boron carbide films (a factor of more than 2 in Young's modulus). This fact can turn out as an advantage in order to select buffer layers to better anchor boron carbide films on substrates eliminating thermally induced mechanical tensions.

  15. To appear in the Proceedings of the World Multiconference on Systemics, Cybernetics, and Informatics (CSI'97), Caracas, Venezuela, July 1997. Learning of ParameterAdaptive Reactive Controllers for Robotic

    E-Print Network [OSTI]

    , and Informatics (CSI'97), Caracas, Venezuela, July 1997. Learning of Parameter­Adaptive Reactive Controllers

  16. Reactivity Accountability Attributed to Reflector Poisons in the High Flux Isotope Reactor

    SciTech Connect (OSTI)

    Chandler, David [ORNL; Maldonado, G Ivan [ORNL; Primm, Trent [ORNL

    2009-12-01

    The objective of this study is to develop a methodology to predict the reactivity impact as a function of outage time between cycles of 3He, 6Li, and other poisons in the High Flux Isotope Reactor s (HFIR) beryllium reflector. The reactivity worth at startup of the HFIR has been incorrectly predicted in the past after the reactor has been shut-down for long periods of time. The incorrect prediction was postulated to be due to the erroneous calculation of 3He buildup in the beryllium reflector. It is necessary to develop a better estimate of the start-of-cycle symmetric critical control element positions since if the estimated and actual symmetrical critical control element positions differ by more than $1.55 in reactivity (approximately one-half inch in control element startup position), HFIR is to be shutdown and a technical evaluation is performed to resolve the discrepancy prior to restart. 3He is generated and depleted during operation, but during an outage, the depletion of 3He ceases because it is a stable isotope. 3He is born from the radioactive decay of tritium, and thus the concentration of 3He increases during shutdown. SCALE, specifically the TRITON and CSAS5 control modules including the KENO V.A, COUPLE, and ORIGEN functional modules were utilized in this study. An equation relating the down time (td) to the change in symmetric control element position was generated and validated against measurements for approximately 40 HFIR operating cycles. The newly-derived correlation was shown to improve accuracy of predictions for long periods of down time.

  17. Pyrolysis process for producing condensed stabilized hydrocarbons utilizing a beneficially reactive gas

    DOE Patents [OSTI]

    Durai-Swamy, Kandaswamy (Culver City, CA)

    1982-01-01

    In a process for recovery of values contained in solid carbonaceous material, the solid carbonaceous material is comminuted and then subjected to pyrolysis, in the presence of a carbon containing solid particulate source of heat and a beneficially reactive transport gas in a transport flash pyrolysis reactor, to form a pyrolysis product stream. The pyrolysis product stream contains a gaseous mixture and particulate solids. The solids are separated from the gaseous mixture to form a substantially solids-free gaseous stream which comprises volatilized hydrocarbon free radicals newly formed by pyrolysis. Preferably the solid particulate source of heat is formed by oxidizing part of the separated particulate solids. The beneficially reactive transport gas inhibits the reactivity of the char product and the carbon-containing solid particulate source of heat. Condensed stabilized hydrocarbons are obtained by quenching the gaseous mixture stream with a quench fluid which contains a capping agent for stabilizing and terminating newly formed volatilized hydrocarbon free radicals. The capping agent is partially depleted of hydrogen by the stabilization and termination reaction. Hydrocarbons of four or more carbon atoms in the gaseous mixture stream are condensed. A liquid stream containing the stabilized liquid product is then treated or separated into various fractions. A liquid containing the hydrogen depleted capping agent is hydrogenated to form a regenerated capping agent. At least a portion of the regenerated capping agent is recycled to the quench zone as the quench fluid. In another embodiment capping agent is produced by the process, separated from the liquid product mixture, and recycled.

  18. A Dual Regime Reactive Transport Model for Simulation of High Level Waste Tank Closure Scenarios - 13375

    SciTech Connect (OSTI)

    Sarkar, Sohini; Kosson, David S.; Brown, Kevin; Garrabrants, Andrew C.; Meeussen, Hans; Van der Sloot, Hans

    2013-07-01

    A numerical simulation framework is presented in this paper for estimating evolution of pH and release of major species from grout within high-level waste tanks after closure. This model was developed as part of the Cementitious Barriers Partnership. The reactive transport model consists of two parts - (1) transport of species, and (2) chemical reactions. The closure grout can be assumed to have varying extents of cracking and composition for performance assessment purposes. The partially or completely degraded grouted tank is idealized as a dual regime system comprising of a mobile region having solid materials with cracks and macro-pores, and an immobile/stagnant region having solid matrix with micropores. The transport profiles of the species are calculated by incorporating advection of species through the mobile region, diffusion of species through the immobile/stagnant region, and exchange of species between the mobile and immobile regions. A geochemical speciation code in conjunction with the pH dependent test data for a grout material is used to obtain a mineral set that best describes the trends in the test data of the major species. The dual regime reactive transport model predictions are compared with the release data from an up-flow column percolation test. The coupled model is then used to assess effects of crack state of the structure, rate and composition of the infiltrating water on the pH evolution at the grout-waste interface. The coupled reactive transport model developed in this work can be used as part of the performance assessment process for evaluating potential risks from leaching of a cracked tank containing elements of human health and environmental concern. (authors)

  19. Dynamics of confined reactive water in Smectic clay-zeolite composites.

    SciTech Connect (OSTI)

    Pitman, Michael C.; Van Duin, Adri C. T.

    2012-01-01

    The dynamics of water confined to mesoporous regions in minerals such as swelling clays and zeolites is fundamental to a wide range of resource management issues impacting many processes on a global scale, including radioactive waste containment, desalination, and enhanced oil recovery. Large-scale atomic models of freely diffusing multilayer smectite particles at low hydration confined in a silicalite cage are used to investigate water dynamics in the composite environment with the ReaxFF reactive force field over a temperature range of 300 647 K. The reactive capability of the force field enabled a range of relevant surface chemistry to emerge, including acid/base equilibria in the interlayer calcium hydrates and silanol formation on the edges of the clay and inner surface of the zeolite housing. After annealing, the resulting clay models exhibit both mono- and bilayer hydration structures. Clay surface hydration redistributed markedly and yielded to silicalite water loading. We find that the absolute rates and temperature dependence of water dynamics compare well to neutron scattering data and pulse field gradient measures from relevant samples of Ca-montmorillonite and silicalite, respectively. Within an atomistic, reactive context, our results distinguish water dynamics in the interlayer Ca(OH)2 nH2O environment from water flowing over the clay surface, and from water diffusing within silicalite. We find that the diffusion of water when complexed to Ca hydrates is considerably slower than freely diffusing water over the clay surface, and the reduced mobility is well described by a difference in the Arrhenius pre-exponential factor rather than a change in activation energy.

  20. Dynamics of confined reactive water in smectite clay-zeolite composites

    SciTech Connect (OSTI)

    Pitman, Michael C.; Van Duin, Adri C. T.

    2012-01-01

    The dynamics of water confined to mesoporous regions in minerals such as swelling clays and zeolites is fundamental to a wide range of resource management issues impacting many processes on a global scale, including radioactive waste containment, desalination, and enhanced oil recovery. Large-scale atomic models of freely diffusing multilayer smectite particles at low hydration confined in a silicalite cage are used to investigate water dynamics in the composite environment with the ReaxFF reactive force field over a temperature range of 300 647 K. The reactive capability of the force field enabled a range of relevant surface chemistry to emerge, including acid/base equilibria in the interlayer calcium hydrates and silanol formation on the edges of the clay and inner surface of the zeolite housing. After annealing, the resulting clay models exhibit both mono- and bilayer hydration structures. Clay surface hydration redistributed markedly and yielded to silicalite water loading. We find that the absolute rates and temperature dependence of water dynamics compare well to neutron scattering data and pulse field gradient measures from relevant samples of Ca-montmorillonite and silicalite, respectively. Within an atomistic, reactive context, our results distinguish water dynamics in the interlayer Ca(OH)2 nH2O environment from water flowing over the clay surface, and from water diffusing within silicalite. We find that the diffusion of water when complexed to Ca hydrates is considerably slower than freely diffusing water over the clay surface, and the reduced mobility is well described by a difference in the Arrhenius pre-exponential factor rather than a change in activation energy.

  1. Drop Dynamics and Speciation in Isolation of Metals from Liquid Wastes by Reactive Scavenging

    SciTech Connect (OSTI)

    Arne J. Pearlstein; Alexander Scheeline

    2002-08-30

    Computational and experimental studies of the motion and dynamics of liquid drops in gas flows were conducted with relevance to reactive scavenging of metals from atomized liquid waste. Navier-Stoke's computations of deformable drops revealed a range of conditions from which prolate drops are expected, and showed how frajectiones of deformable drops undergoing deceleration can be computed. Experimental work focused on development of emission fluorescence, and scattering diagnostics. The instrument developed was used to image drop shapes, soot, and nonaxisymmetric departures from steady flow in a 22kw combustor

  2. Reactivity of Pb(II) at the Mn(III,IV) (Oxyhydr)Oxide-Water Interface

    E-Print Network [OSTI]

    Sparks, Donald L.

    A T O C H A , * , E V E R T J . E L Z I N G A , A N D D O N A L D L . S P A R K S DepartmentReactivity of Pb(II) at the Mn(III,IV) (Oxyhydr)Oxide-Water Interface C H R I S T O P H E R J . M and surface functional groups on R-Al2O3 depending on the specific surface site exposed. The uptake of Pb

  3. Fluidizable zinc titanate materials with high chemical reactivity and attrition resistance

    DOE Patents [OSTI]

    Gupta, Raghubir P. (Durham, NC); Gangwal, Santosh K. (Durham, NC); Jain, Suresh C. (Morgantown, WV)

    1993-01-01

    Highly durable and chemically reactive zinc titanate materials are prepared in a particle size range of 50 to 400 .mu.m suitable for a fluidized-bed reactor for removing reduced sulfur species in a gaseous form by granulating a mixture of fine zinc oxide and titanium oxide with inorganic and organic binders and by optional additions of small amounts of activators such as CoO and MoO.sub.3 ; and then indurating it at 800.degree. to 900.degree. C. for a time sufficient to produce attrition-resistant granules.

  4. Systems and methods for reactive distillation with recirculation of light components

    DOE Patents [OSTI]

    Stickney, Michael J. (Nassau Bay, TX); Jones, Jr., Edward M. (Friendswood, TX)

    2011-07-26

    Systems and methods for producing gas-to-liquids products using reactive distillation are provided. The method for producing gas-to-liquids products can include reacting a feedstock in a column having a distillation zone and a reaction zone to provide a bottoms stream and an overhead stream. A first portion of the overhead stream can be recycled to the column at the top of the reaction zone and second portion of the overhead stream can be recycled to the column at the bottom of the reaction zone.

  5. A new binder for powder injection molding titanium and other reactive metals

    SciTech Connect (OSTI)

    Weil, K. Scott; Nyberg, Eric A.; Simmons, Kevin L.

    2006-06-26

    We have developed a new aromatic-based binder for powder injection molding (PIM) reactive metals, such as titanium, zirconium, niobium, tungsten, and molybdenum. Because of careful selection of the binder constituents, thermal removal is readily accomplished at low temperatures and short-times via vacuum sublimation. In this way the binder can be cleanly extracted from the green part prior to sintering to minimize the amount of residual carbon left in the final component. Rheological measurements indicate that powder loadings in the PIM feedstock as high as 67 vol% could be achieved using the new binder system, while still maintaining low mixing torques and injection molding pressures.

  6. Fluidizable zinc titanate materials with high chemical reactivity and attrition resistance

    DOE Patents [OSTI]

    Gupta, R.P.; Gangwal, S.K.; Jain, S.C.

    1993-10-19

    Highly durable and chemically reactive zinc titanate materials are prepared in a particle size range of 50 to 400 [mu]m suitable for a fluidized-bed reactor for removing reduced sulfur species in a gaseous form by granulating a mixture of fine zinc oxide and titanium oxide with inorganic and organic binders and by optional additions of small amounts of activators such as CoO and MoO[sub 3]; and then indurating it at 800 to 900 C for a time sufficient to produce attrition-resistant granules.

  7. Chemical Reactivity Testing for the National Spent Nuclear Fuel Program. Quality Assurance Project Plan

    SciTech Connect (OSTI)

    Newsom, H.C.

    1999-01-24

    This quality assurance project plan (QAPjP) summarizes requirements used by Lockheed Martin Energy Systems, Incorporated (LMES) Development Division at Y-12 for conducting chemical reactivity testing of Department of Energy (DOE) owned spent nuclear fuel, sponsored by the National Spent Nuclear Fuel Program (NSNFP). The requirements are based on the NSNFP Statement of Work PRO-007 (Statement of Work for Laboratory Determination of Uranium Hydride Oxidation Reaction Kinetics.) This QAPjP will utilize the quality assurance program at Y-12, QA-101PD, revision 1, and existing implementing procedures for the most part in meeting the NSNFP Statement of Work PRO-007 requirements, exceptions will be noted.

  8. Data Analysis and Reporting of the 150 Chevrolet Volt ARRA Demonstration Fleet

    SciTech Connect (OSTI)

    Richard "Barney" Carlson

    2014-07-01

    This is the final report for the GM Vehicle Demo analysis and reporting. I'd like it to be posted to the AVTA website. It contains no new information than what is in Quarterly reports that were previously approved by GM.

  9. Image plate characterization and absolute calibration to low kilo-electron-volt electrons

    SciTech Connect (OSTI)

    Busold, S.; Philipp, K.; Otten, A.; Roth, M.

    2014-11-15

    We report on the characterization of an image plate and its absolute calibration to electrons in the low keV energy range (1–30 keV). In our case, an Agfa MD4.0 without protection layer was used in combination with a Fuji FLA7000 scanner. The calibration data are compared to other published data and a consistent picture of the sensitivity of image plates to electrons is obtained, which suggests a validity of the obtained calibration up to 100 keV.

  10. Winery pairs vines with volts, leads the way for solar on BPA...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    raptor population to control pests naturally, and fertilizes by means of a massive composting system. "Sustainability is a part of our company culture. It definitely emanates...

  11. A one-volt p-InP/n-CdSe regenerative photoelectrochemical cell

    SciTech Connect (OSTI)

    Ang, P.G.P.; Sammells, A.F.

    1983-08-01

    Photoelectrochemical (PEC) cells have the potential utility of being used for either the direct conversion of solar energy to electricity as in regenerative devices or to generate stored redox species which can later be electrochemically discharged in a suitable cell. This latter approach has been particularly intriguing over the last few years. However, although several photoelectrochemical storage cells have been discussed, it has become increasingly desirable to have a high-voltage (approx. =1 V) PEC cell, so that the storage cell with which it is associated has some hope of being competitive with presently available commercial batteries.

  12. Computer simulation of dislocation dechanneling in bent crystals at tera-electron-volt energies

    SciTech Connect (OSTI)

    Biryukov, V.

    1995-08-01

    The dislocation dechanneling of protons in the high-GeV and TeV energy ranges in long curved crystals has been investigated by means of computer simulation. The prospects for multi-TeV applications of bent crystals are discussed.

  13. Scalable Distributed Automation System: Scalable Real-time Decentralized Volt/VAR Control

    SciTech Connect (OSTI)

    2012-03-01

    GENI Project: Caltech is developing a distributed automation system that allows distributed generators—solar panels, wind farms, thermal co-generation systems—to effectively manage their own power. To date, the main stumbling block for distributed automation systems has been the inability to develop software that can handle more than 100,000 distributed generators and be implemented in real time. Caltech’s software could allow millions of generators to self-manage through local sensing, computation, and communication. Taken together, localized algorithms can support certain global objectives, such as maintaining the balance of energy supply and demand, regulating voltage and frequency, and minimizing cost. An automated, grid-wide power control system would ease the integration of renewable energy sources like solar power into the grid by quickly transmitting power when it is created, eliminating the energy loss associated with the lack of renewable energy storage capacity of the grid.

  14. The Breakthrough Behind the Chevy Volt Battery | U.S. DOE Office of Science (SC)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust,Field-effectWorking With U.S.Week Day Year(active tab) 2016 «The Breakthrough Behind the

  15. Temperature control of some metallic conductors in the region of the melting point 

    E-Print Network [OSTI]

    Rahman, Arifur

    1961-01-01

    . The central aluminium bracket is a support for the thermocouple. a 1 / a J, ' 10 Vacuum Pump A Welch Duo-seal oil type vacuum pump was used to evacuate the chamber. According to the manufacturers of the pump, it is possible to obtain a pressure... amperes, (with a supply voltage of about 14 volts D. C. ) it was thought suitable to use t'wo 2N512A's in parallel. To overcome the problem of heat dissipation, the final stage transistors were mounted on an I/8" thick aluminium plate 10. 5" x 20...

  16. Hybrid high direct current circuit interrupter

    DOE Patents [OSTI]

    Rockot, J.H.; Mikesell, H.E.; Jha, K.N.

    1998-08-11

    A device and a method are disclosed for interrupting very high direct currents (greater than 100,000 amperes) and simultaneously blocking high voltages (greater than 600 volts). The device utilizes a mechanical switch to carry very high currents continuously with low loss and a silicon controlled rectifier (SCR) to bypass the current around the mechanical switch while its contacts are separating. A commutation circuit, connected in parallel with the SCR, turns off the SCR by utilizing a resonant circuit to divert the SCR current after the switch opens. 7 figs.

  17. Hybrid high direct current circuit interrupter

    DOE Patents [OSTI]

    Rockot, Joseph H. (N. Huntingdon, PA); Mikesell, Harvey E. (McMurray, PA); Jha, Kamal N. (Bethel Park, PA)

    1998-01-01

    A device and a method for interrupting very high direct currents (greater than 100,000 amperes) and simultaneously blocking high voltages (greater than 600 volts). The device utilizes a mechanical switch to carry very high currents continuously with low loss and a silicon controlled rectifier (SCR) to bypass the current around the mechanical switch while its contacts are separating. A commutation circuit, connected in parallel with the SCR, turns off the SCR by utilizing a resonant circuit to divert the SCR current after the switch opens.

  18. The engineering design of an x/y digital scaler 

    E-Print Network [OSTI]

    Eckelkamp, B. Jesse

    1965-01-01

    knee iC KlvCg for Iv I & voltage of the characteristic knee i = f (i ) + K 1 v~ where v = the total instantaneous collector to emitter voltage in volts, i "- the total instantaneous collector current in amperes, C K = a constant which... and Settings Coefficient Switch Setting Position Notes CC 20 . 6ooo V RR -12 CC (1000/ll 05 . 8888 R =45Q S 6 6. 452AN RWR ( 0 5 . 1050 10 R A=. 00405 i , NS 8 2 (1000/RR) 25 . Sooo R = 1000 6. 452AN 4xlo ( 8 ) . 8360 10 R N = 8 R 10( ? ) "B...

  19. Hanford ferrocyanide waste chemistry and reactivity preliminary catalyst and initiator screening studies

    SciTech Connect (OSTI)

    Scheele, R.D.; Bryan, S.A.; Johnston, J.W.; Tingey, J.M.; Burger, L.L.; Hallen, R.T.

    1992-05-01

    During the 1950s, ferrocyanide was used to scavenge radiocesium from aqueous nitrate-containing Hanford wastes. During the production of defense materials and while these wastes were stored in high-level waste tanks at the Hanford Site, some of these wastes were likely mixed with other waste constituents and materials. Recently, Pacific Northwest Laboratory (PNL) was commissioned by Westinghouse Hanford Company (WHC) to investigate the chemical reactivity of these ferrocyanide-bearing wastes. Because of known or potential thermal reactivity hazards associated with ferrocyanide- and nitrate-bearing wastes, and because of the potential for different materials to act as catalysts or initiators of the reactions about which there is concern, we at PNL have begun investigating the effects of the other potential waste constituents. This report presents the results of a preliminary screening study to identify classes of materials that might be in the Hanford high-level waste tanks and that could accelerate or reduce the starting temperature of the reaction(s) of concern. We plan to use the resulted of this study to determine which materials or class of materials merit additional research.

  20. Cytotoxicity of InP/ZnS quantum dots related to reactive oxygen species generation.

    SciTech Connect (OSTI)

    Chibli, H.; Carlini, L.; Park, S.; Dimitrijevic, N. M.; Nadeau, J. L.

    2011-01-01

    Indium phosphide (InP) quantum dots (QDs) have emerged as a presumably less hazardous alternative to cadmium-based particles, but their cytotoxicity has not been well examined. Although their constituent elements are of very low toxicity to cells in culture, they nonetheless exhibit phototoxicity related to generation of reactive oxygen species by excited electrons and/or holes interacting with water and molecular oxygen. Using spin-trap electron paramagnetic resonance (EPR) spectroscopy and reporter assays, we find a considerable amount of superoxide and a small amount of hydroxyl radical formed under visible illumination of biocompatible InP QDs with a single ZnS shell, comparable to what is seen with CdTe. A double thickness shell reduces the reactive oxygen species concentration approximately two-fold. Survival assays in five cell lines correspondingly indicate a distinct reduction in toxicity with the double-shell InP QDs. Toxicity varies significantly across cell lines according to the efficiency of uptake, being overall significantly less than what is seen with CdTe or CdSe/ZnS. This indicates that InP QDs are a useful alternative to cadmium-containing QDs, while remaining capable of electron-transfer processes that may be undesirable or which may be exploited for photosensitization applications.

  1. Wettability and thermal stability of fluorocarbon films deposited by deep reactive ion etching

    SciTech Connect (OSTI)

    Zhuang Yanxin; Menon, Aric [MIC, Department of Micro and Nanotechnology, Technical University of Denmark, Building 345 east, DK-2800, Kgs. Lyngby (Denmark)

    2005-05-01

    Fluorocarbon films have low surface energy and can be used as antistiction coating for microelectromechanical systems. By using the passivation process in a deep reactive ion etcher, the fluorocarbon films can be deposited and integrated with other processes in the clean room. The properties such as wettability, surface energies, and thermal stability, have been investigated in detail. It has been found that the fluorocarbon films deposited have a static water contact angle of 109 deg. and a surface energy around 14.5 mJ/m{sup 2}, whereas as-received and as-deposited single silicon, poly silicon, and silicon nitride have a much lower water contact angle and a higher surface energy. The fluorocarbon films keep their good hydrophobicity up to 300 deg. C, and the degradation temperature depends on the thickness of the fluorocarbon films. Decomposition happens at lower temperatures (100-300 deg. C) even though the decomposition rate is quite slow without affecting the contact angle. The decomposition mechanism at low temperatures (less than 300 deg. C) might be different from that at high temperatures. It has been shown that the fluorocarbon film deposited by a deep reactive ion etcher tool provides very high hydrophobicity, low surface energy, good thermal stability, and antiadhesion behavior for use in nanoimprinting lithography.

  2. Hysteresis-free high rate reactive sputtering of niobium oxide, tantalum oxide, and aluminum oxide

    SciTech Connect (OSTI)

    Särhammar, Erik, E-mail: erik.sarhammar@angstrom.uu.se; Berg, Sören; Nyberg, Tomas [Department of Solid State Electronics, The Ångström Laboratory, Uppsala University, Box 534, SE-751 21 Uppsala (Sweden)

    2014-07-01

    This work reports on experimental studies of reactive sputtering from targets consisting of a metal and its oxide. The composition of the targets varied from pure metal to pure oxide of Al, Ta, and Nb. This combines features from both the metal target and oxide target in reactive sputtering. If a certain relation between the metal and oxide parts is chosen, it may be possible to obtain a high deposition rate, due to the metal part, and a hysteresis-free process, due to the oxide part. The aim of this work is to quantify the achievable boost in oxide deposition rate from a hysteresis-free process by using a target consisting of segments of a metal and its oxide. Such an increase has been previously demonstrated for Ti using a homogeneous substoichiometric target. The achievable gain in deposition rate depends on transformation mechanisms from oxide to suboxides due to preferential sputtering of oxygen. Such mechanisms are different for different materials and the achievable gain is therefore material dependent. For the investigated materials, the authors have demonstrated oxide deposition rates that are 1.5–10 times higher than what is possible from metal targets in compound mode. However, although the principle is demonstrated for oxides of Al, Ta, and Nb, a similar behavior is expected for most oxides.

  3. Reduced-reactivity-swing LEU fuel cycle analyses for HFR Petten

    SciTech Connect (OSTI)

    Deen, J.R.; Snelgrove, J.L.

    1985-01-01

    The primary objective of these low enriched uranium (LEU) fuel cycle analyses was to effect at least a 33% reduction in the reactivity swing now experienced in the high enriched uranium (HEU) cycle while minimizing increases in /sup 235/U loading and power peaking. All LEU equilibrium fuel cycle calculations were performed using either a 19- or 20-plate fuel element with 0.76-mm-thick meat and 0.5- or 0.6-mm-thick Cd wires as burnable absorbers and 16- or 17-plate control rod fuel followers with 0.76-mm-thick meat. Burnup-dependent microscopic cross sections were used for all heavy metals and fission products. A three-dimensional model was used to account for the effect of partially inserted control rods upon burnup profiles of fuel and of burnable absorbers and upon power peaking. The equilibrium cycle reactivity swing (or, equivalently control rod movement) was reduced by 50% using LEU fuel with U meat densities <4.8 Mg/m/sup 3/. 6 refs., 4 tabs.

  4. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent. Quarterly technical progress report 8, July--September 1988

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1988-11-14

    AMAX Research & Development Center (AMAX R&D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  5. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent. Quarterly technical progress report 9, October--December 1988

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1989-03-06

    AMAX Research & Development Center (AMAX R&D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  6. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent. Quarterly technical progress report No. 3, April--June 1987

    SciTech Connect (OSTI)

    Jha, M.C.; Baltich, L.K.; Berggren, M.H.

    1987-08-28

    AMAX Research & Development Center (AMAX R&D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  7. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent. Quarterly technical progress report 2, January--March 1987

    SciTech Connect (OSTI)

    Jha, M.C.; Baltich, L.K.; Berggren, M.H.

    1987-05-18

    AMAX Research & Development Center (AMAX R&D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  8. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent. Volume 1, Bench-scale testing and analysis

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1989-05-02

    AMAX Research & Development Center (AMAX R&D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  9. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent. Quarterly technical progress report 7, April--June 1988

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1988-08-19

    AMAX Research & Development Center (AMAX R&D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  10. Internal neutronics-temperature coupling in Serpent 2 - Reactivity differences resulting from choice of material property correlations

    SciTech Connect (OSTI)

    Valtavirta, V. [VTT Technical Research Centre of Finland, P.O. Box 1000, FI-02044 VTT (Finland)

    2013-07-01

    This paper describes the unique way of simultaneously solving the power and temperature distributions of a nuclear system with the Monte Carlo neutron transport code Serpent 2. The coupled solution is achieved through the implementation of an internal temperature solver and material property correlations in the code. The program structure is reviewed concerning the temperature solver and the internal correlations as well as the internal coupling between these two and the neutron transport part. To estimate the reactivity differences resulting from correlation choices a simple pin-cell case has been calculated. It is established, that some correlation choices may result in difference in reactivity of approximately 100 pcm. (authors)

  11. Geophysical monitoring and reactive transport modeling of ureolytically-driven calcium carbonate precipitation

    SciTech Connect (OSTI)

    Wu, Y.; Ajo-Franklin, J.B.; Spycher, N.; Hubbard, S.S.; Zhang, G.; Williams, K.H.; Taylor, J.; Fujita, Y.; Smith, R.

    2011-07-15

    Ureolytically-driven calcium carbonate precipitation is the basis for a promising in-situ remediation method for sequestration of divalent radionuclide and trace metal ions. It has also been proposed for use in geotechnical engineering for soil strengthening applications. Monitoring the occurrence, spatial distribution, and temporal evolution of calcium carbonate precipitation in the subsurface is critical for evaluating the performance of this technology and for developing the predictive models needed for engineering application. In this study, we conducted laboratory column experiments using natural sediment and groundwater to evaluate the utility of geophysical (complex resistivity and seismic) sensing methods, dynamic synchrotron x-ray computed tomography (micro-CT), and reactive transport modeling for tracking ureolytically-driven calcium carbonate precipitation processes under site relevant conditions. Reactive transport modeling with TOUGHREACT successfully simulated the changes of the major chemical components during urea hydrolysis. Even at the relatively low level of urea hydrolysis observed in the experiments, the simulations predicted an enhanced calcium carbonate precipitation rate that was 3-4 times greater than the baseline level. Reactive transport modeling results, geophysical monitoring data and micro-CT imaging correlated well with reaction processes validated by geochemical data. In particular, increases in ionic strength of the pore fluid during urea hydrolysis predicted by geochemical modeling were successfully captured by electrical conductivity measurements and confirmed by geochemical data. The low level of urea hydrolysis and calcium carbonate precipitation suggested by the model and geochemical data was corroborated by minor changes in seismic P-wave velocity measurements and micro-CT imaging; the latter provided direct evidence of sparsely distributed calcium carbonate precipitation. Ion exchange processes promoted through NH{sub 4}{sup +} production during urea hydrolysis were incorporated in the model and captured critical changes in the major metal species. The electrical phase increases were potentially due to ion exchange processes that modified charge structure at mineral/water interfaces. Our study revealed the potential of geophysical monitoring for geochemical changes during urea hydrolysis and the advantages of combining multiple approaches to understand complex biogeochemical processes in the subsurface.

  12. Assessment of Controlling Processes for Field-Scale Uranium Reactive Transport under Highly Transient Flow Conditions

    SciTech Connect (OSTI)

    Ma, Rui; Zheng, Chunmiao; Liu, Chongxuan; Greskowiak, Janek; Prommer, Henning; Zachara, John M.

    2014-02-13

    This paper presents the results of a comprehensive model-based analysis of a uranium tracer test conducted at the U.S Department of Energy Hanford 300 Area (300A) IFRC site. A three-dimensional multi-component reactive transport model was employed to assess the key factors and processes that control the field-scale uranium reactive transport. Taking into consideration of relevant physical and chemical processes, the selected conceptual/numerical model replicates the spatial and temporal variations of the observed U(VI) concentrations reasonably well in spite of the highly complex field conditions. A sensitivity analysis was performed to interrogate the relative importance of various processes and factors for reactive transport of U(VI) at the field-scale. The results indicate that multi-rate U(VI) sorption/desorption, U(VI) surface complexation reactions, and initial U(VI) concentrations were the most important processes and factors controlling U(VI) migration. On the other hand, cation exchange reactions, the choice of the surface complexation model, and dual-domain mass transfer processes, which were previously identified to be important in laboratory experiments, played less important roles under the field-scale experimental condition at the 300A site. However, the model simulations also revealed that the groundwater chemistry was relatively stable during the uranium tracer experiment and therefore presumably not dynamic enough to appropriately assess the effects of ion exchange reaction and the choice of surface complexation models on U(VI) sorption and desorption. Furthermore, it also showed that the field experimental duration (16 days) was not sufficiently long to precisely assess the role of a majority of the sorption sites that were accessed by slow kinetic processes within the dual domain model. The sensitivity analysis revealed the crucial role of the intraborehole flow that occurred within the long-screened monitoring wells and thus significantly affected both field-scale measurements and simulated U(VI) concentrations as a combined effect of aquifer heterogeneity and highly dynamic flow conditions. Overall, this study, which provides one of the few detailed and highly data-constrained uranium transport simulations, highlights the difference in controlling processes between laboratory and field scale that prevent a simple direct upscaling of laboratory-scale models.

  13. Investigating the potential for long-term permeable reactive barrier (PRB) monitoring from the electrical signatures associated with the reduction in reactive iron performance

    SciTech Connect (OSTI)

    Slater, Lee D.; Korte, N.; Baker, J.

    2005-12-14

    The objective of this work was to conduct laboratory and field experiments to determine the sensitivity of low frequency electrical measurements (resistivity and induced polarization) to the processes of corrosion and precipitation that are believed to limit permeable reactive barrier (PRB) performance. The research was divided into four sets of experiments that were each written up and submitted to a peer-reviewed journal: [1] A laboratory experiment to define the controls of aqueous chemistry (electrolyte activity; pH; valence) and total zero valent iron (Fe0) available surface area on the electrical properties of Fe0 columns. [2] A laboratory experiment to determine the impact of corrosion and precipitation on the electrical response of synthetic Fe0 columns as a result of geochemical reactions with NaSO4 and NaCO3 electrolytes. [3] Laboratory experiments on a sequence of cores retrieved from the Kansas City PRB to determine the magnitude of electrical and geochemical changes within a field active PRB after eight years of operation [4] Field-scale cross borehole resistivity and induced polarization monitoring of the Kansas City PRB to evaluate the potential of electrical imaging as a technology for non-invasive, long-term monitoring of indicators of reduced PRB performance This report first summarizes the findings of the four major experiments conducted under this research. The reader is referred to the four papers in Appendices 1-4 for a full description of each experiment, including motivation and significance, technical details, findings and implications. The deliverables of the project, including the publications, conference papers and new collaborative arrangements that have resulted are then described. Appendices 5-6 contain two technical reports written by co-PI Korte describing (1) supporting geochemical measurements, and (2) the coring procedure, conducted at the Kansas City PRB as part of this project.

  14. Method for cracking hydrocarbon compositions using a submerged reactive plasma system

    DOE Patents [OSTI]

    Kong, P.C.

    1997-05-06

    A method is described for cracking a liquid hydrocarbon composition (e.g. crude oil) to produce a cracked hydrocarbon product. A liquid hydrocarbon composition is initially provided. An electrical arc is generated directly within the hydrocarbon composition so that the arc is entirely submerged in the composition. Arc generation is preferably accomplished using a primary and secondary electrode each having a first end submerged in the composition. The first ends of the electrodes are separated from each other to form a gap there between. An electrical potential is then applied to the electrodes to generate the arc within the gap. A reactive gas is thereafter delivered to the arc which forms a bubble around the arc. Gas delivery may be accomplished by providing a passageway through each electrode and delivering the gas through the passageways. The arc and gas cooperate to produce a plasma which efficiently cracks the hydrocarbon composition. 6 figs.

  15. Catalytic reactive separation system for energy-efficient production of cumene

    DOE Patents [OSTI]

    Buelna, Genoveva (Nuevo Laredo, MX); Nenoff, Tina M. (Albuquerque, NM)

    2009-07-28

    The present invention relates to an atmospheric pressure, reactive separation column packed with a solid acid zeolite catalyst for producing cumene from the reaction of benzene with propylene. Use of this un-pressurized column, where simultaneous reaction and partial separation occur during cumene production, allow separation of un-reacted, excess benzene from other products as they form. This high-yielding, energy-efficient system allows for one-step processing of cumene, with reduced need for product purification. Reacting propylene and benzene in the presence of beta zeolite catalysts generated a selectivity greater than 85% for catalytic separation reactions at a reaction temperature of 115 degrees C and at ambient pressure. Simultaneously, up to 76% of un-reacted benzene was separated from the product; which could be recycled back to the reactor for re-use.

  16. Utility of reactively sputtered CuN{sub x} films in spintronics devices

    SciTech Connect (OSTI)

    Fang Yeyu; Persson, J.; Zha, C.; Willman, J.; Miller, Casey W.; Aakerman, Johan

    2012-04-01

    We have studied nitrified copper (CuN{sub x}) thin films grown by reactive sputtering in the context of spintronic devices. The Ar-to-N{sub 2} flow ratio enables tunability of the electrical resistivity and surface roughness of the CuN{sub x} films, with the former increasing to nearly 20 times that of Cu, and the latter reduced to the atomic scale. Incorporating this into a Ta/CuN{sub x}/Ta seed stack for spin valves improves the current-in-plane (CIP) magnetoresistance; maximum magnetoresistance results with CuN{sub x} seed layer and Cu interlayer. Finally, finite element modeling results are presented that suggest the use of CuN{sub x} in nanocontact spin torque oscillators can enhance current densities by limiting the current spread through the device. This may positively impact threshold currents, power requirements, and device reliability.

  17. Structural and thermal properties of nanocrystalline CuO synthesized by reactive magnetron sputtering

    SciTech Connect (OSTI)

    Verma, M.; Gupta, V. K.; Gautam, Y. K.; Dave, V.; Chandra, R.

    2014-01-28

    Recent research has shown immense application of metal oxides like CuO, MgO, CaO, Al{sub 2}O{sub 3}, etc. in different areas which includes chemical warfare agents, medical drugs, magnetic storage media and solar energy transformation. Among the metal oxides, CuO nanoparticles are of special interest because of their excellent gas sensing and catalytic properties. In this paper we report structural and thermal properties of CuO synthesized by reactive magnetron DC sputtering. The synthesized nanoparticles were characterized by X-ray diffractometer. The XRD result reveals that as DC power increased from 30W to 80W, size of the CuO nanoparticles increased. The same results have been verified through TEM analysis. Thermal properties of these particles were studied using thermogravimetry.

  18. Reduced yield stress for zirconium exposed to iodine: Reactive force field simulation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Rossi, Matthew L.; Taylor, Christopher D.; van Duin, Adri C. T.

    2014-11-04

    Iodine-induced stress-corrosion cracking (ISCC), a known failure mode for nuclear fuel cladding, occurs when iodine generated during the irradiation of a nuclear fuel pellet escapes the pellet through diffusion or thermal cracking and chemically interacts with the inner surface of the clad material, inducing a subsequent effect on the cladding’s resistance to mechanical stress. To complement experimental investigations of ISCC, a reactive force field (ReaxFF) compatible with the Zr-I chemical and materials systems has been developed and applied to simulate the impact of iodine exposure on the mechanical strength of the material. The study shows that the material’s resistance tomore »stress (as captured by the yield stress of a high-energy grain boundary) is related to the surface coverage of iodine, with the implication that ISCC is the result of adsorption-enhanced decohesion.« less

  19. Effects of volatiles on melt production and reactive flow in the mantle

    E-Print Network [OSTI]

    Keller, Tobias

    2015-01-01

    Magmatism in the Earth interior has a significant impact on its dynamic, thermal and compositional evolution. Experimental studies of petrology of mantle melting find that small concentrations of water and carbon dioxide have a significant effect on the solidus temperature and distribution of melting in the upper mantle. However, it has remained unclear what effect small fractions of deep, volatile-rich melts have on melting and melt transport in the shallow asthenosphere. We present a method to simulate the thermochemical evolution of the upper mantle in the presence of volatiles. The method is based on a novel, thermodynamically consistent framework for reactive, disequilibrium, multi-component melting/crystallisation. This is coupled with a system of equations representing conservation of mass, momentum, and energy for a partially molten grain aggregate. Application of this method to upwelling-column models demonstrates that it captures leading-order features of hydrated and carbonated peridotite melting. ...

  20. Effect of temperature on quantitative structure/reactivity relationships for hydrocracking polynuclear aromatics

    SciTech Connect (OSTI)

    Korre, S.C.; Klein, M.T. [Univ. of Delaware, Newark, DE (United States)

    1995-12-31

    The increased interest in the molecular modeling of hydrocarbon conversion processes is motivated by the need to predict both the performance and environmental properties of the products. A molecular description of the hydrocarbon mixture is the logical starting point for these predictions, which has motivated considerable interest in the development of molecular reaction models. The construction of such models is complicated by the enormous need for rate, adsorption and equilibrium parameters. This staggering need can be reduced considerably when the homologous patterns of both compound types and their reactions in these mixtures can be recognized. This has motivated the development of a lumping approach that organizes the kinetics information in potentially thousands of rate, adsorption and equilibrium constants into the parameters of a handful (O(10)) of Quantitative Structure/Reactivity Relationships (QSRR) using the formalism of Linear Free Energy Relationships. This paper describes the hydrocracking of phenanthrene and naphthalene.

  1. Method for cracking hydrocarbon compositions using a submerged reactive plasma system

    DOE Patents [OSTI]

    Kong, Peter C. (Idaho Falls, ID)

    1997-01-01

    A method for cracking a liquid hydrocarbon composition (e.g. crude oil) to produce a cracked hydrocarbon product. A liquid hydrocarbon composition is initially provided. An electrical arc is generated directly within the hydrocarbon composition so that the arc is entirely submerged in the composition. Arc generation is preferably accomplished using a primary and secondary electrode each having a first end submerged in the composition. The first ends of the electrodes are separated from each other to form a gap therebetween. An electrical potential is then applied to the electrodes to generate the arc within the gap. A reactive gas is thereafter delivered to the arc which forms a bubble around the arc. Gas delivery may be accomplished by providing a passageway through each electrode and delivering the gas through the passageways. The arc and gas cooperate to produce a plasma which efficiently cracks the hydrocarbon composition.

  2. Method for atmospheric pressure reactive atom plasma processing for surface modification

    DOE Patents [OSTI]

    Carr, Jeffrey W. (Livermore, CA)

    2009-09-22

    Reactive atom plasma processing can be used to shape, polish, planarize and clean the surfaces of difficult materials with minimal subsurface damage. The apparatus and methods use a plasma torch, such as a conventional ICP torch. The workpiece and plasma torch are moved with respect to each other, whether by translating and/or rotating the workpiece, the plasma, or both. The plasma discharge from the torch can be used to shape, planarize, polish, and/or clean the surface of the workpiece, as well as to thin the workpiece. The processing may cause minimal or no damage to the workpiece underneath the surface, and may involve removing material from the surface of the workpiece.

  3. Reactive triblock polymers from tandem ring-opening polymerization for nanostructured vinyl thermosets

    SciTech Connect (OSTI)

    Amendt, Mark A.; Pitet, Louis M.; Moench, Sarah; Hillmyer, Marc A.

    2013-03-07

    Multiply functional hydroxyl telechelic poly(cyclooctene-s-5-norbornene-2-methylene methacrylate) was synthesized by ring opening metathesis (co)polymerization of cis-cyclooctene and 5-norbornene-2-methylene methacrylate using the second generation Grubbs catalyst in combination with a symmetric chain transfer agent bearing hydroxyl functionality. The resulting hydroxyl-telechelic polymer was used as a macroinitiator for the ring opening transesterification polymerization of d,l-lactide to form reactive poly(lactide)-b-poly(cyclooctene-s-5-norbornene-2-methylene methacrylate)-b-poly(lactide) triblock polymers. Subsequently, the triblocks were crosslinked by free radical copolymerization with several vinyl monomers including styrene, divinylbenzene, methyl methacrylate, and ethyleneglycol dimethacrylate. Certain conditions led to optically transparent thermosets with mesoscale phase separation as evidenced by small angle X-ray scattering, differential scanning calorimetry and transmission electron microscopy. Disordered, bicontinuous structures with nanoscopic domains were generated in several cases, rendering the samples attractive for size-selective membrane applications.

  4. Methods for modeling impact-induced reactivity changes in small reactors.

    SciTech Connect (OSTI)

    Tallman, Tyler N.; Radel, Tracy E.; Smith, Jeffrey A.; Villa, Daniel L.; Smith, Brandon M.; Radel, Ross F.; Lipinski, Ronald J.; Wilson, Paul Philip Hood

    2010-10-01

    This paper describes techniques for determining impact deformation and the subsequent reactivity change for a space reactor impacting the ground following a potential launch accident or for large fuel bundles in a shipping container following an accident. This technique could be used to determine the margin of subcriticality for such potential accidents. Specifically, the approach couples a finite element continuum mechanics model (Pronto3D or Presto) with a neutronics code (MCNP). DAGMC, developed at the University of Wisconsin-Madison, is used to enable MCNP geometric queries to be performed using Pronto3D output. This paper summarizes what has been done historically for reactor launch analysis, describes the impact criticality analysis methodology, and presents preliminary results using representative reactor designs.

  5. Characterization of the reactive flow field dynamics in a gas turbine injector using high frequency PIV

    E-Print Network [OSTI]

    Barbosa, Séverine; Ducruix, Sébastien

    2008-01-01

    The present work details the analysis of the aerodynamics of an experimental swirl stabilized burner representative of gas turbine combustors. This analysis is carried out using High Frequency PIV (HFPIV) measurements in a reactive situation. While this information is usually available at a rather low rate, temporally resolved PIV measurements are necessary to better understand highly turbulent swirled flows, which are unsteady by nature. Thanks to recent technical improvements, a PIV system working at 12 kHz has been developed to study this experimental combustor flow field. Statistical quantities of the burner are first obtained and analyzed, and the measurement quality is checked, then a temporal analysis of the velocity field is carried out, indicating that large coherent structures periodically appear in the combustion chamber. The frequency of these structures is very close to the quarter wave mode of the chamber, giving a possible explanation for combustion instability coupling.

  6. Studies on optoelectronic properties of DC reactive magnetron sputtered chromium doped CdO thin films

    SciTech Connect (OSTI)

    Hymavathi, B., E-mail: brkhyma@gmail.com; Rao, T. Subba, E-mail: thotasubbarao6@gmail.com [Department of Physics, Sri Krishnadevaraya University, Anantapuramu - 515 003, A.P. (India); Kumar, B. Rajesh, E-mail: rajphyind@gmail.com [Department of Physics, GITAM Institute of Technology, GITAM University, Visakhapatnam - 530 045, A.P. (India)

    2014-10-15

    Cr doped CdO thin films were deposited on glass substrates by DC reactive magnetron sputtering method and subsequently annealed from 200 °C to 500 °C. X-ray diffraction analysis showed that the films exhibit (1 1 1) preferred orientation. The optical transmittance of the films increases from 64% to 88% with increasing annealing temperature. The optical band gap values were found to be decreased from 2.77 to 2.65 eV with the increase of annealing temperature. The decrease in optical band gap energy with increasing annealing temperature can be attributed to improvement in the crystallinity of the films and may also be due to quantum confinement effect. A minimum resistivity of 2.23 × 10{sup ?4} ?.cm and sheet resistance of 6.3 ?/sq is obtained for Cr doped CdO film annealed at 500 °C.

  7. Organic/inorganic nanocomposites, methods of making, and uses as a permeable reactive barrier

    DOE Patents [OSTI]

    Harrup, Mason K. (Idaho Falls, ID); Stewart, Frederick F. (Idaho Falls, ID)

    2007-05-15

    Nanocomposite materials having a composition including an inorganic constituent, a preformed organic polymer constituent, and a metal ion sequestration constituent are disclosed. The nanocomposites are characterized by being single phase, substantially homogeneous materials wherein the preformed polymer constituent and the inorganic constituent form an interpenetrating network with each other. The inorganic constituent may be an inorganic oxide, such as silicon dioxide, formed by the in situ catalyzed condensation of an inorganic precursor in the presence of the solvated polymer and metal ion sequestration constituent. The polymer constituent may be any hydrophilic polymer capable of forming a type I nanocomposite such as, polyacrylonitrile (PAN), polyethyleneoxide (PEO), polyethylene glycol (PEG), polyvinyl acetate (PVAc), polyvinyl alcohol (PVA), and combinations thereof. Nanocomposite materials of the present invention may be used as permeable reactive barriers (PRBs) to remediate contaminated groundwater. Methods for making nanocomposite materials, PRB systems, and methods of treating groundwater are also disclosed.

  8. Active and reactive behaviour in human mobility: the influence of attraction points on pedestrians

    E-Print Network [OSTI]

    Gutiérrez-Roig, Mario; Oltra, Aitana; Bartumeus, Frederic; Diaz-Guilera, Albert; Perelló, Josep

    2015-01-01

    Human mobility is becoming an accessible field of study thanks to the progress and availability of tracking technologies as a common feature of smart phones. We describe an example of a scalable experiment exploiting these circumstances at a public, outdoor fair in Barcelona (Spain). Participants were tracked while wandering through an open space with activity stands attracting their attention. We develop a general modeling framework based on Langevin Dynamics, which allows us to test the influence of two distinct types of ingredients on mobility: reactive or context-dependent factors, modelled by means of a force field generated by attraction points in a given spatial configuration, and active or inherent factors, modelled from intrinsic movement patterns of the subjects. The additive and constructive framework model accounts for the observed features. Starting with the simplest model (purely random walkers) as a reference, we progressively introduce different ingredients such as persistence, memory, and per...

  9. Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework

    SciTech Connect (OSTI)

    Robinson, Jerome R.; Gordon, Zachary; Booth, Corwin H.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.

    2014-06-24

    Cerium compounds have played vital roles in organic, inorganic, and materials chemistry due to their reversible redox chemistry between trivalent and tetravalent oxidation states. However, attempts to rationally access molecular cerium complexes in both oxidation states have been frustrated by unpredictable reactivity in cerium(III) oxidation chemistry. Such oxidation reactions are limited by steric saturation at the metal ion, which can result in high energy activation barriers for electron transfer. An alternative approach has been realized using a rare earth/alkali metal/1,1'-BINOLate (REMB) heterobimetallic framework, which uses redox-inactive metals within the secondary coordination sphere to control ligand reorganization. The rational syntheses of functionalized cerium(IV) products and a mechanistic examination of the role of ligand reorganization in cerium(III) oxidation are presented.

  10. Chemical reactivity testing for the National Spent Nuclear Fuel Program. Revision 2

    SciTech Connect (OSTI)

    Koester, L.W.

    2000-02-08

    This quality assurance project plan (QAPjP) summarizes requirements used by Lockheed Martin Energy Systems, Incorporated (LMES) Development Division at Y-12 for conducting chemical reactivity testing of Department of Energy (DOE) owned spent nuclear fuel, sponsored by the National Spent Nuclear Fuel Program (NSNFP). The requirements are based on the NSNFP Statement of work PRO-007 (Statement of Work for Laboratory Determination of Uranium Hydride Oxidation Reaction Kinetics.) This QAPjP will utilize the quality assurance program at Y-12, Y60-101PD, Quality Program Description, and existing implementing procedures for the most part in meeting the NSNFP Statement of Work PRO-007 requirements, exceptions will be noted. The project consists of conducting three separate series of related experiments, ''Passivation of Uranium Hydride Powder With Oxygen and Water'', '''Passivation of Uranium Hydride Powder with Surface Characterization'', and ''Electrochemical Measure of Uranium Hydride Corrosion Rate''.

  11. Reduced yield stress for zirconium exposed to iodine: Reactive force field simulation

    SciTech Connect (OSTI)

    Rossi, Matthew L.; Taylor, Christopher D.; van Duin, Adri C. T.

    2014-11-04

    Iodine-induced stress-corrosion cracking (ISCC), a known failure mode for nuclear fuel cladding, occurs when iodine generated during the irradiation of a nuclear fuel pellet escapes the pellet through diffusion or thermal cracking and chemically interacts with the inner surface of the clad material, inducing a subsequent effect on the cladding’s resistance to mechanical stress. To complement experimental investigations of ISCC, a reactive force field (ReaxFF) compatible with the Zr-I chemical and materials systems has been developed and applied to simulate the impact of iodine exposure on the mechanical strength of the material. The study shows that the material’s resistance to stress (as captured by the yield stress of a high-energy grain boundary) is related to the surface coverage of iodine, with the implication that ISCC is the result of adsorption-enhanced decohesion.

  12. Modeling carbon nanotube growth on the catalyst-substrate surface subjected to reactive plasma [

    SciTech Connect (OSTI)

    Tewari, Aarti; Sharma, Suresh C.

    2014-06-15

    The paper presents a theoretical model to study the growth of the carbon nanotube (CNT) on the catalyst substrate surface subjected to reactive plasma. The charging rate of the CNT, kinetics of electron, ions and neutral atoms, the growth rate of the CNT because of diffusion and accretion of ions on the catalyst nanoparticle inclusion of the issue of the plasma sheath is undertaken in the present model. Numerical calculations on the effect of ion density and temperature and the substrate bias on the growth of the CNT have been carried out for typical glow discharge plasma parameters. It is found that the height of CNT increases with the ion density of carbon ions and radius of CNT decreases with hydrogen ion density. The substrate bias also affects the growth rate of the CNT. The field emission characteristics from the CNTs can be analyzed from the results obtained.

  13. Boron-carbide-aluminum and boron-carbide-reactive metal cermets

    DOE Patents [OSTI]

    Halverson, Danny C. (Manteca, CA); Pyzik, Aleksander J. (Seattle, WA); Aksay, Ilhan A. (Seattle, WA)

    1986-01-01

    Hard, tough, lightweight boron-carbide-reactive metal composites, particularly boron-carbide-aluminum composites, are produced. These composites have compositions with a plurality of phases. A method is provided, including the steps of wetting and reacting the starting materials, by which the microstructures in the resulting composites can be controllably selected. Starting compositions, reaction temperatures, reaction times, and reaction atmospheres are parameters for controlling the process and resulting compositions. The ceramic phases are homogeneously distributed in the metal phases and adhesive forces at ceramic-metal interfaces are maximized. An initial consolidation step is used to achieve fully dense composites. Microstructures of boron-carbide-aluminum cermets have been produced with modulus of rupture exceeding 110 ksi and fracture toughness exceeding 12 ksi.sqroot.in. These composites and methods can be used to form a variety of structural elements.

  14. A Proper Motion Survey Using the First Sky Pass of NEOWISE-Reactivation Data

    E-Print Network [OSTI]

    Schneider, Adam C; Cushing, Michael C; Kirkpatrick, J Davy; Mainzer, Amy; Gelino, Christopher R; Fajardo-Acosta, Sergio B; Bauer, James

    2015-01-01

    The Wide-field Infrared Survey Explorer (WISE) was reactivated in December of 2013 (NEOWISE) to search for potentially hazardous near-Earth objects. We have conducted a survey using the first sky pass of NEOWISE data and the AllWISE catalog to identify nearby stars and brown dwarfs with large proper motions ($\\mu_{\\rm total}$ $\\gtrsim$ 250 mas yr$^{-1}$). A total of 20,548 high proper motion objects were identified, 1,006 of which are new discoveries. This survey has uncovered a significantly larger sample of fainter objects (W2 $\\gtrsim$13 mag) than the previous WISE motion surveys of Luhman (2014a) and Kirkpatrick et al. (2014). Many of these objects are predicted to be new L and T dwarfs based on near- and mid-infrared colors. Using estimated spectral types along with distance estimates, we have identified several objects likely belonging to the nearby Solar neighborhood (d $potentially nea...

  15. Kenneth J. Turner, Ashley McClenaghan and Colin Chan. Specification and Animation of Reactive Systems. In Volkan Atalay, Ugur Halici, Kemal Inan,

    E-Print Network [OSTI]

    Turner, Ken

    Kenneth J. Turner, Ashley McClenaghan and Colin Chan. Specification and Animation of Reactive. Specification and Animation of Reactive Systems K. J. Turner , A. McClenaghan , C. Chan Computing Science, University of Stirling, Stirling FK9 4LA, UK (kjt cch@cs.stir.ac.uk) APM Ltd., Poseidon House, Castle Park

  16. To appear in the Proceedings of INTERACT 2003: Ninth IFIP TC 13 Int'l. Conf. On Human-Computer Interaction Reactive Information Displays

    E-Print Network [OSTI]

    Narayanan, N. Hari

    to a user's attention, to present the right information at the right place and in the right time, constitute information in the right place and at the right time. We term such interfaces Reactive Information Displays-Computer Interaction Reactive Information Displays N. Hari Narayanan & Daesub Yoon Intelligent and Interactive Systems

  17. Identifying key controls on the behavior of an acidic-U(VI) plume in the Savannah River Site using reactive transport modeling

    E-Print Network [OSTI]

    Hubbard, Susan

    online 1 May 2013 Acidic low-level waste radioactive waste solutions were discharged to three unlined reactive transport modeling Sergio A. Bea a, , Haruko Wainwright a,1 , Nicolas Spycher a,2 , Boris treatments. This paper presents a reactive transport (RT) model and uncertainty quantification (UQ) analyses

  18. GEOC Andrew Stack Thursday, March 20, 2014 152 Kinetics of arsenic oxidation by manganese oxide minerals: The influence of origin and structure on reactivity

    E-Print Network [OSTI]

    Sparks, Donald L.

    birnessite, randomstacked birnessite, acid birnessite, and biogenic manganese oxide were reacted under being the least reactive. Two synthetic manganese oxides, acid birnessite and HMO, oxidize arsenicH, and temperature were varied with HMO and acid birnessite, the two most reactive manganese oxides. Under

  19. Direct measurement of the chemical reactivity of silicon electrodes with LiPF6-based battery electrolytes

    SciTech Connect (OSTI)

    Veith, Gabriel M; Baggetto, Loic; Sacci, Robert L; Unocic, Raymond R; Tenhaeff, Wyatt E; Browning, Jim

    2014-01-01

    We report the first direct measurement of the chemistry and extent of reactivity between a lithium ion battery electrode surface (Si) and a liquid electrolyte (1.2M LiPF6-3:7 wt% ethylene carbonate:dimethyl carbonate). This layer is estimated to be 3.6 nm thick and partially originates from the consumption of the silicon surface.

  20. PEV-based P-Q Control in Line Distribution Networks with High Requirement for Reactive Power Compensation

    E-Print Network [OSTI]

    Huang, Jianwei

    impact of distribution level wind turbines. Our design is based on a nonlinear power flow analysis1 PEV-based P-Q Control in Line Distribution Networks with High Requirement for Reactive Power the electric grid, both as a potential source of energy storage and as a means to improve power quality

  1. Generation of DNA-Damaging Reactive Oxygen Species via the Autoxidation of Hydrogen Sulfide under Physiologically Relevant

    E-Print Network [OSTI]

    Gates, Kent. S.

    Generation of DNA-Damaging Reactive Oxygen Species via the Autoxidation of Hydrogen Sulfide under found that micromolar concentrations of H2S generated single-strand DNA cleavage. Mechanistic studies indicate that this process involved autoxidation of H2S to generate superoxide, hydrogen peroxide, and

  2. Developing Embedded/Real-Time and Cyber-Physical Systems: Functional Reactive Programming, RTL-based Formal Verification, Response Time

    E-Print Network [OSTI]

    Cheng, Albert M. K.

    , specification, modeling, scheduling, and formal verification of real- time, embedded, and cyber-physical systems-based Formal Verification, Response Time Analysis, and Power-Aware Scheduling Albert M. K. Cheng Real reactive programming, RTL (real-time logic)-based formal verification, response time analysis, and power

  3. Reversible Protection and Reactive Patterning of Amine-and Hydroxyl-Terminated Self-Assembled Monolayers on

    E-Print Network [OSTI]

    Reversible Protection and Reactive Patterning of Amine- and Hydroxyl-Terminated Self, Wisconsin 53706-1396 Received June 7, 1999 The reversible protection of amine- and hydroxyl MUAM surface. Fmoc is also utilized as a hydroxyl protecting group, as demonstrated by the reaction

  4. Manipulating Interfaces through Surface Confinement of Poly(glycidyl methacrylate)-block-poly(vinyldimethylazlactone), a Dually Reactive Block Copolymer

    SciTech Connect (OSTI)

    Lokitz, Bradley S; Wei, Jifeng; Hinestrosa Salazar, Juan P; Ivanov, Ilia N; Browning, James B; Ankner, John Francis; Kilbey, II, S Michael; Messman, Jamie M

    2012-01-01

    The assembly of dually reactive, well-defined diblock copolymers incorporating the chemoselective/functional monomer, 4,4-dimethyl-2-vinylazlactone (VDMA) and the surface-reactive monomer glycidyl methacrylate (GMA) is examined to understand how competition between surface attachment and microphase segregation influences interfacial structure. Reaction of the PGMA block with surface hydroxyl groups not only anchors the copolymer to the surface, but limits chain mobility, creating brush-like structures comprising PVDMA blocks, which contain reactive azlactone groups. The block copolymers are spin coated at various solution concentrations and annealed at elevated temperature to optimize film deposition to achieve a molecularly uniform layer. The thickness and structure of the polymer thin films are investigated by ellipsometry, infrared spectroscopy, and neutron reflectometry. The results show that deposition of PGMA-b-PVDMA provides a useful route to control film thickness while preserving azlactone groups that can be further modified with biotin-poly(ethylene glycol)amine to generate designer surfaces. The method described herein offers guidance for creating highly functional surfaces, films, or coatings through the use of dually reactive block copolymers and postpolymerization modification.

  5. IEEE TRANSACTIONS ON POWER SYSTEMS, VOL. 17, NO. 2, MAY 2002 243 Allocation of the Reactive Power Support

    E-Print Network [OSTI]

    Gross, George

    of losses. The formulation leads to a nat- ural allocation as a function of the amount of each transactionIEEE TRANSACTIONS ON POWER SYSTEMS, VOL. 17, NO. 2, MAY 2002 243 Allocation of the Reactive Power, IEEE, and Shu Tao Abstract--This paper presents a new physical-flow-based mech- anism for allocating

  6. Title: Improving Jet Engine Turbine Thermal Barrier Coatings via Reactive Element Addition to the Bond Coat Alloy

    E-Print Network [OSTI]

    Carter, Emily A.

    Title: Improving Jet Engine Turbine Thermal Barrier Coatings via Reactive Element Addition engine turbine blades can shield the temperature to which the underlying superalloy is exposed modifications that should inhibit the failure of these jet engine turbine thermal barrier coatings. Research

  7. Toward a Process-Based Molecular Model of SiC Membranes. 1. Development of a Reactive Force Field

    E-Print Network [OSTI]

    Goddard III, William A.

    ABSTRACT: A broad class of important materials, such as carbon molecular sieves, silicon carbide (Si of preceramic polymers. Examples include carbon molecular sieves, silicon carbide (SiC), silicon nitride (Si3N4Toward a Process-Based Molecular Model of SiC Membranes. 1. Development of a Reactive Force Field

  8. Abstract: In this paper we provide a systematic review of generator-provided reactive support as an unbundled ancillary

    E-Print Network [OSTI]

    including generators, shunt capacitors/reactors, synchronous condensers and static VAr compensators. Since1 Abstract: In this paper we provide a systematic review of generator-provided reactive support costs, which are evaluated from the foregone profits of a generator in the real power markets

  9. Reaction dynamics of atomic chlorine with methane: Importance of methane bending and torsional excitation in controlling reactivity

    E-Print Network [OSTI]

    Reaction dynamics of atomic chlorine with methane: Importance of methane bending and torsional with methane vibrationally excited in trace quantities into low-energy bending and torsional modes­7 and detailed the effect on reactivity of C­H stretch vibrational excitation.5­7 This paper concerns our most

  10. Catalytic and binding poly-reactivities shared by two unrelated proteins: The potential role of promiscuity in

    E-Print Network [OSTI]

    Tawfik, Dan S.

    of promiscuity in enzyme evolution LEO C. JAMES1 AND DAN S. TAWFIK1,2 1 Centre for Protein Engineering, Cambridge charged ligands. We suggest that the basic active-site features of an apolar pocket and a lysine residue-reactivity of many thousands of proteins has been analyzed in much detail, promiscuous activities or poly

  11. Eur. J. Biochem. 214, 99-110 (1993) Molecular characterization of Limulus polyphemus C-reactive protein

    E-Print Network [OSTI]

    1993-01-01

    characterized after their release by hydrazinolysis, re-N-acety- lation, and reduction with NaB3H,. High-voltage using high-voltage borate paper electrophoresis and Dionex BioLC ion-exchange chromatography conserved family of vertebrate plasma proteins known as pentraxins, which includes human C-reactive protein

  12. Multidiscipline Modeling in Materials and Structures Multi-physics modeling and simulations of reactive melt infiltration process used

    E-Print Network [OSTI]

    Grujicic, Mica

    of reactive melt infiltration process used in fabrication of ceramic-matrix composites (CMCs) Mica Grujicic in fabrication of ceramic-matrix composites (CMCs)", Multidiscipline Modeling in Materials and Structures, Vol used in fabrication of ceramic-matrix composites (CMCs) Mica Grujicic, Rohan Galgalikar, S. Ramaswami

  13. Physical origin of the high reactivity of subsurface hydrogen in catalytic hydrogenation A. Michaelides, P. Hu, and A. Alavi

    E-Print Network [OSTI]

    Alavi, Ali

    .1063/1.3126682 The importance of hydrogen's potential-energy surface and the strength of the forming R ­ H bond in surface hydrogen is known experimentally to be much more reactive than surface hydrogen. We use density functional theory to identify low-energy pathways for the hydrogenation of methyl adsorbed on Ni 111 by surface

  14. Gas-phase study of the reactivity of optical coating materials with hydrocarbons by use of a

    E-Print Network [OSTI]

    Rocca, Jorge J.

    Gas-phase study of the reactivity of optical coating materials with hydrocarbons by use with hydrocarbons is studied in the gas phase by use of mass spectroscopy of metal-oxide clusters. We report-layer materials with hydrocarbons. An increased understanding of these reactions could lead to the development

  15. Performance of Trasuranic-Loaded Fully Ceramic Micro-Encapsulated Fuel in LWRs Interim Report, Including Void Reactivity Evaluation

    SciTech Connect (OSTI)

    Michael A. Pope; Brian Boer; Gilles Youinou; Abderrafi M. Ougouag

    2011-03-01

    The current focus of the Deep Burn Project is on once-through burning of transuranice (TRU) in light water reactors (LWRs). The fuel form is called Fully-Ceramic Micro-encapsulated (FCM) fuel, a concept that borrows the tri-isotropic (TRISO) fuel particle design from high-temperature reactor technology. In the Deep Burn LWR (DB-LWR) concept, these fuel particles would be pressed into compacts using SiC matrix material and loaded into fuel pins for use in conventional LWRs. The TRU loading comes from the spent fuel of a conventional LWR after 5 years of cooling. Unit cell calculations have been performed using the DRAGON-4 code in order assess the physics attributes of TRU-only FCM fuel in an LWR lattice. Depletion calculations assuming an infinite lattice condition were performed with calculations of various reactivity coefficients performed at each step. Unit cells containing typical UO2 and MOX fuel were analyzed in the same way to provide a baseline against which to compare the TRU-only FCM fuel. Loading of TRU-only FCM fuel into a pin without significant quantities of uranium challenges the design from the standpoint of several key reactivity parameters, particularly void reactivity, and to some degree, the Doppler coefficient. These unit cells, while providing an indication of how a whole core of similar fuel would behave, also provide information of how individual pins of TRU-only FCM fuel would influence the reactivity behavior of a heterogeneous assembly. If these FCM fuel pins are included in a heterogeneous assembly with LEU fuel pins, the overall reactivity behavior would be dominated by the uranium pins while attractive TRU destruction performance of the TRU-only FCM fuel pins may be preserved. A configuration such as this would be similar to CONFU assemblies analyzed in previous studies. Analogous to the plutonium content limits imposed on MOX fuel, some amount of TRU-only FCM pins in an otherwise-uranium fuel assembly may give acceptable reactivity performance. Assembly calculations will be performed in future work to explore the design options for heterogeneous assemblies of this type and their impact on reactivity coefficients.

  16. Reactive Transport and Coupled THM Processes in Engineering Barrier Systems (EBS)

    SciTech Connect (OSTI)

    Steefel, Carl; Rutqvist, Jonny; Tsang, Chin-Fu; Liu, Hui-Hai; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens

    2010-08-31

    Geological repositories for disposal of high-level nuclear wastes generally rely on a multi-barrier system to isolate radioactive wastes from the biosphere. The multi-barrier system typically consists of a natural barrier system, including repository host rock and its surrounding subsurface environment, and an engineering barrier system (EBS). EBS represents the man-made, engineered materials placed within a repository, including the waste form, waste canisters, buffer materials, backfill and seals (OECD, 2003). EBS plays a significant role in the containment and long-term retardation of radionuclide release. EBS is involved in complex thermal, hydrogeological, mechanical, chemical and biological processes, such as heat release due to radionuclide decay, multiphase flow (including gas release due to canister corrosion), swelling of buffer materials, radionuclide diffusive transport, waste dissolution and chemical reactions. All these processes are related to each other. An in-depth understanding of these coupled processes is critical for the performance assessment (PA) for EBS and the entire repository. Within the EBS group of Used Fuel Disposition (UFD) Campaign, LBNL is currently focused on (1) thermal-hydraulic-mechanical-chemical (THMC) processes in buffer materials (bentonite) and (2) diffusive transport in EBS associated with clay host rock, with a long-term goal to develop a full understanding of (and needed modeling capabilities to simulate) impacts of coupled processes on radionuclide transport in different components of EBS, as well as the interaction between near-field host rock (e.g., clay) and EBS and how they effect radionuclide release. This final report documents the progress that LBNL has made in its focus areas. Specifically, Section 2 summarizes progress on literature review for THMC processes and reactive-diffusive radionuclide transport in bentonite. The literature review provides a picture of the state-of-the-art of the relevant research areas addressed by LBNL. Section 3 documents the current modeling tools, available at LBNL, for the EBS study. This may be important for identifying future modeling activities within the EBS group with these current capabilities and needs for future EBS modeling development. Section 4 presents the results of geomechanical modeling using the Barcelona Basic Model (BBM) constitutive relationship for thermo-elasto-plastic media such as bentonite and an update on reactive-diffusive transport modeling approaches through bentonite in the EBS. Section 5 discusses identified knowledge gaps and technical issues as well as short- and long-term R&D plans.

  17. A FAMILY OF TWENTY-AMPERES POWER SUPPLIES FOR MULTI-POLE CORRECTORS FOR ACCELERATORS AND STORAGE RINGS

    E-Print Network [OSTI]

    Kozak, Victor R.

    in the windings of the magnetic elements in the parts of energy variation: during the energy boost in the acceleration mode and during the reduction to the injection energy. Since the impedance of corrector is the sum

  18. Understanding composite explosive energetics: 3, Reactive flow modeling of aluminum reaction kinetics in PETN and TNT

    SciTech Connect (OSTI)

    Tao, W.C.; Tarver, C.M.; Ornellas, D.L.

    1991-12-06

    Using Fabry-Perot interferometry techniques, we have determined that early time rate of energy release from detonating PETN and TNT explosives filled with 5 and 10 wt % of either 5 {mu}m of 18 {mu}m spherical aluminum (Al) particles. From the measured particle velocity data, we are able to infer the reaction rate of aluminum with the detonation products, and calculate the extent of reaction 1--3 {mu}s after the detonation. We observed that a substantional portion of the aluminum metal in all of the PETN and TNE formulations reacted within the timeframe of the one-dimensional experiment. In the PETN formulation filed with 5 wt % of 5 {mu}m aluminum, all of the metal reacted within 1.5 {mu}s, resulting in an increase of 22% in energy compared to pure PETN. A reactive-flow hydrodynamic model based on the Zeldovich-von Neumann-Doring (ZND) description of the reaction zone and subsequent reaction produce expansion (Taylor wave) is used to interpret the reaction rate of the aluminum particles with detonation product gases. The diffusion-controlled reaction mechanism for aluminum and the global kinetic parameters used in the model have been found to be consistent for all the PETN and TNT formulations.

  19. Isolation of Metals from Liquid Wastes: Reactive Scavenging in Turbulent Thermal Reactors

    SciTech Connect (OSTI)

    William Linak

    2004-12-16

    Sorption of cesium and strontium on kaolinite powders was investigated as a means to minimize the emissions of these metals during certain high temperature processes currently being developed to isolate and dispose of radiological and mixed wastes. In this work, non-radioactive aqueous cesium acetate or strontium acetate was atomized down the center of a natural gas flame supported on a variable-swirl burner in a refractory-lined laboratory-scale combustion facility. Kaolinite powder was injected at a post-flame location in the combustor. Cesium readily vaporizes in the high temperature regions of the combustor, but was reactively scavenged onto dispersed kaolinite. Global sorption mechanisms of cesium vapor on kaolinite were quantified, and are related to those available in the literature for sodium and lead. Both metal adsorption and substrate deactivation steps are important, and so there is an optimum temperature, between 1400 and 1500 K, at which maximum sorption occurs. The presence of chlorine inhibits cesium sorption. In contrast to cesium, and in the absence of chlorine, strontium was only partially vaporized and was, therefore, only partially scavengeable. The strontium data did not allow quantification of global kinetic mechanisms of interaction, although equilibrium arguments provided insight into the effects of chlorine on strontium sorption. These results have implications for the use of sorbents to control cesium and strontium emissions during high temperature waste processing including incineration and vitrification.

  20. FUNDAMENTAL ENVIRONMENTAL REACTIVITY TESTING AND ANALYSIS OF THE HYDROGEN STORAGE MATERIAL 2LIBH4 MGH2

    SciTech Connect (OSTI)

    James, C.; Anton, D.; Cortes-Concepcion, J.; Brinkman, K.; Gray, J.

    2012-01-10

    While the storage of hydrogen for portable and stationary applications is regarded as critical in bringing PEM fuel cells to commercial acceptance, little is known of the environmental exposure risks posed in utilizing condensed phase chemical storage options as in complex hydrides. It is thus important to understand the effect of environmental exposure of metal hydrides in the case of accident scenarios. Simulated tests were performed following the United Nations standards to test for flammability and water reactivity in air for a destabilized lithium borohydride and magnesium hydride system in a 2 to 1 molar ratio respectively. It was determined that the mixture acted similarly to the parent, lithium borohydride, but at slower rate of reaction seen in magnesium hydride. To quantify environmental exposure kinetics, isothermal calorimetry was utilized to measure the enthalpy of reaction as a function of exposure time to dry and humid air, and liquid water. The reaction with liquid water was found to increase the heat flow significantly during exposure compared to exposure in dry or humid air environments. Calorimetric results showed the maximum normalized heat flow the fully charged material was 6 mW/mg under liquid phase hydrolysis; and 14 mW/mg for the fully discharged material also occurring under liquid phase hydrolysis conditions.

  1. Structural and optical properties of DC reactive magnetron sputtered zinc aluminum oxide thin films

    SciTech Connect (OSTI)

    Kumar, B. Rajesh; Rao, T. Subba

    2014-10-15

    Highly transparent conductive Zinc Aluminum Oxide (ZAO) thin films have been deposited on glass substrates using DC reactive magnetron sputtering method. The thin films were deposited at 200 °C and post-deposition annealing from 15 to 90 min. XRD patterns of ZAO films exhibit only (0 0 2) diffraction peak, indicating that they have c-axis preferred orientation perpendicular to the substrate. Scanning electron microscopy (SEM) is used to study the surface morphology of the films. The grain size obtained from SEM images of ZAO thin films are found to be in the range of 20 - 26 nm. The minimum resistivity of 1.74 × 10{sup ?4} ? cm and an average transmittance of 92% are obtained for the thin film post annealed for 30 min. The optical band gap of ZAO thin films increased from 3.49 to 3.60 eV with the increase of annealing time due to Burstein-Moss effect. The optical constants refractive index (n) and extinction coefficient (k) were also determined from the optical transmission spectra.

  2. Effectiveness of Diesel Oxidation Catalyst in Reducing HC and CO Emissions from Reactivity Controlled Compression Ignition

    SciTech Connect (OSTI)

    Prikhodko, Vitaly Y; Curran, Scott; Parks, II, James E; Wagner, Robert M

    2013-01-01

    Reactivity Controlled Compression Ignition (RCCI) has been shown to allow for diesel-like or better brake thermal efficiency with significant reductions in nitrogen oxide (NOX) particulate matter (PM) emissions. Hydrocarbon (HC) and carbon monoxide (CO) emission levels, on the other hand, are similar to those of port fuel injected gasoline engines. The higher HC and CO emissions combined with the lower exhaust temperatures with RCCI operation present a challenge for current exhaust aftertreatments. The reduction of HC and CO emissions in a lean environment is typically achieved with an oxidation catalyst. In this work, several diesel oxidation catalysts (DOC) with different precious metal loadings were evaluated for effectiveness to control HC and CO emissions from RCCI combustion in a light-duty multi-cylinder engine operating on gasoline and diesel fuels. Each catalyst was evaluated in a steady-state engine operation with temperatures ranging from 160 to 260 C. A shift to a higher light-off temperature was observed during the RCCI operation. In addition to the steady-state experiments, the performances of the DOCs were evaluated during multi-mode engine operation by switching from diesel-like combustion at higher exhaust temperature and low HC/CO emissions to RCCI combustion at lower temperature and higher HC/CO emissions. High CO and HC emissions from RCCI generated an exotherm keeping the catalyst above the light-off temperature.

  3. Modelling On Photogeneration Of Hydroxyl Radical In Surface Waters And Its Reactivity Towards Pharmaceutical Wastes

    SciTech Connect (OSTI)

    Das, Radha; Vione, Davide; Rubertelli, Francesca; Maurino, Valter; Minero, Claudio; Barbati, Stephane; Chiron, Serge

    2010-10-26

    This paper reports a simple model to describe the formation and reactivity of hydroxyl radicals in the whole column of freshwater lakes. It is based on empirical irradiation data and is a function of the water chemical composition (the photochemically significant parameters NPOC, nitrate, nitrite, carbonate and bicarbonate), the lake conformation best expressed as the average depth, and the water absorption spectrum in a simplified Lambert-Beer approach. The purpose is to derive the lifetime of dissolved molecules, due to reaction with OH, on the basis of their second-order rate constants with the hydroxyl radical. The model was applied to two compounds of pharmaceutical wastes ibuprofen and carbamazepine, for which the second-order rate constants for reaction with the hydroxyl radical were measured by means of the competition kinetics with 2-propanol. The measured values of the rate constants are 1.0x10{sup 10} and 1.6x10{sup 10} M{sup -1} s{sup -1} for ibuprofen and carbamazepine, respectively. The model suggests that the lifetime of a given compound can be very variable in different lakes, even more than the lifetime of different compounds in the same lake. It can be concluded that as far as the reaction with OH, is concerned the concepts of photolability and photostability, traditionally attached to definite compounds, are ecosystem-dependent at least as much as they depend on the molecule under consideration.

  4. Reactive chemical transport in ground-water hydrology: Challenges to mathematical modeling

    SciTech Connect (OSTI)

    Narasimhan, T.N.; Apps, J.A.

    1990-07-01

    For a long time, earth scientists have qualitatively recognized that mineral assemblages in soils and rocks conform to established principles of chemistry. In the early 1960's geochemists began systematizing this knowledge by developing quantitative thermodynamic models based on equilibrium considerations. These models have since been coupled with advective-dispersive-diffusive transport models, already developed by ground-water hydrologists. Spurred by a need for handling difficult environmental issues related to ground-water contamination, these models are being improved, refined and applied to realistic problems of interest. There is little doubt that these models will play an important role in solving important problems of engineering as well as science over the coming years. Even as these models are being used practically, there is scope for their improvement and many challenges lie ahead. In addition to improving the conceptual basis of the governing equations, much remains to be done to incorporate kinetic processes and biological mediation into extant chemical equilibrium models. Much also remains to be learned about the limits to which model predictability can be reasonably taken. The purpose of this paper is to broadly assess the current status of knowledge in modeling reactive chemical transport and to identify the challenges that lie ahead.

  5. Studies on optoelectronic properties of DC reactive magnetron sputtered CdTe thin films

    SciTech Connect (OSTI)

    Kumar, B. Rajesh, E-mail: rajphyind@gmail.com [Department of Physics, Sri Venkateswara University, Tirupati - 517 502, A.P, India and Department of Physics, Sri Krishnadevaraya University, Anantapur - 515 003, A.P (India); Hymavathi, B.; Rao, T. Subba [Department of Physics, Sri Krishnadevaraya University, Anantapur - 515 003, A.P (India)

    2014-01-28

    Cadmium telluride continues to be a leading candidate for the development of cost effective photovoltaics for terrestrial applications. In the present work two individual metallic targets of Cd and Te were used for the deposition of CdTe thin films on mica substrates from room temperature to 300 °C by DC reactive magnetron sputtering method. XRD patterns of CdTe thin films deposited on mica substrates exhibit peaks at 2? = 27.7°, 46.1° and 54.6°, which corresponds to reflection on (1 1 1), (2 2 0) and (3 1 1) planes of CdTe cubic structure. The intensities of XRD patterns increases with the increase of substrate temperature upto 150 °C and then it decreases at higher substrate temperatures. The conductivity of CdTe thin films measured from four probe method increases with the increase of substrate temperature. The activation energies (?E) are found to be decrease with the increase of substrate temperature. The optical transmittance spectra of CdTe thin films deposited on mica have a clear interference pattern in the longer wavelength region. The films have good transparency (T > 85 %) exhibiting interference pattern in the spectral region between 1200 – 2500 nm. The optical band gap of CdTe thin films are found to be in the range of 1.48 – 1.57. The refractive index, n decreases with the increase of wavelength, ?. The value of n and k increases with the increase of substrate temperature.

  6. Analysis of molten fuel-coolant interaction during a reactivity-initiated accident experiment. [BWR; PWR

    SciTech Connect (OSTI)

    El-Genk, M.S.; Hobbins, R.R.

    1981-01-01

    The results of a reactivity-initiated accident experiment, designated RIA-ST-4, are discussed and analyzed with regard to molten fuel-coolant interaction (MFCI). In this experiment, extensive amounts of molten UO/sub 2/ fuel and zircaloy cladding were produced and fragmented upon mixing with the coolant. Coolant pressurization up to 35 MPa and coolant overheating in excess of 940 K occurred after fuel rod failure. The initial coolant conditions were similar to those in boiling water reactors during a hot startup (that is, coolant pressure of 6.45 MPa, coolant temperature of 538 K, and coolant flow rate of 85 cm/sup 3//s). It is concluded that the high coolant pressure recorded in the RIA-ST-4 experiment was caused by an energetic MFCI and was not due to gas release from the test rod at failure, Zr/water reaction, or to UO/sub 2/ fuel vapor pressure. The high coolant temperature indicated the presence of superheated steam, which may have formed during the expansion of the working fluid back to the initial coolant pressure; yet, the thermal-to-mechanical energy conversion ratio is estimated to be only 0.3%.

  7. High-Burnup BWR Fuel Behavior Under Simulated Reactivity-Initiated Accident Conditions

    SciTech Connect (OSTI)

    Nakamura, Takehiko; Kusagaya, Kazuyuki; Fuketa, Toyoshi; Uetsuka, Hiroshi

    2002-06-15

    Boiling water reactor (BWR) fuel at 56 to 61 GWd/tonne U was pulse irradiated in the Nuclear Safety Research Reactor (NSRR) to investigate fuel behavior under cold startup reactivity-initiated accident conditions. Current Japanese 8 x 8 type Step II BWR fuel from Fukushima Daini Unit 2 was refabricated to short segments, and thermal energy from 272 to 586 J/g (65 to 140 cal/g) was promptly inserted to the test rods. Cladding deformation of the BWR fuel by the pulse irradiation was smaller than that of pressurized water reactor (PWR) fuels. However, cladding failure occurred in tests with fuel at burnup of 61 GWd/tonne U at fuel enthalpies of 260 to 360 J/g (62 to 86 cal/g) during the early stages of transients, while the cladding remained cool. The failure was comparable to the one observed in high-burnup PWR fuel tests, in which embrittled cladding with dense hydride precipitation near the outer surface was fractured due to pellet cladding mechanical interaction. Transient fission gas release by the pulse irradiation was {approx}9.6 to 17% depending on the peak fuel enthalpy.

  8. Inhibition of ERK Oscillations by Ionizing Radiation and Reactive Oxygen Species

    SciTech Connect (OSTI)

    Shankaran, Harish; Chrisler, William B.; Sontag, Ryan L.; Weber, Thomas J.

    2010-12-28

    The shuttling of activated protein kinases between the cytoplasm and nucleus is an essential feature of normal growth factor signaling cascades. Here we demonstrate that transforming growth factor alpha (TGF?) induces oscillations in extracellular signal regulated kinase (ERK) cytoplasmic-nuclear translocations in human keratinocytes. TGF?-dependent ERK oscillations mediated through the epidermal growth factor receptor (EGFR) are inhibited by low dose X-irradiation (10?cGy) and low concentrations of hydrogen peroxide (0.32–3.26?µM H2O2) used as a model reactive oxygen species (ROS). A fluorescent indicator dye (H2-DCFDA) was used to measure cellular ROS levels following X-irradiation, 12-O-tetradecanoyl phorbol-13-acetate (TPA) and H2O2. X-irradiation did not generate significant ROS production while 0.32?µM H2O2 and TPA induced significant increases in ROS levels with H2O2? >?TPA. TPA alone induced transactivation of the EGFR but did not induce ERK oscillations. TPA as a cotreatment did not inhibit TGF?-stimulated ERK oscillations but qualitatively altered TGF?-dependent ERK oscillation characteristics (amplitude, time-period). Collectively, these observations demonstrate that TGF?-induced ERK oscillations are inhibited by ionizing radiation/ROS and perturbed by epigenetic carcinogen in human keratinocytes. © 2010 Wiley-Liss, Inc.

  9. Release of aged contaminants from weathered sediments: Effects of sorbate speciation on scaling of reactive transport

    SciTech Connect (OSTI)

    Chorover, Jon; Perdrial, Nico; Mueller, Karl; Strepka, Caleb; O���¢��������Day, Peggy; Rivera, Nelson; Um, Wooyong; Chang, Hyun-Shik; Steefel, Carl; Thompson, Aaron

    2012-11-05

    Hanford sediments impacted by hyperalkaline high level radioactive waste have undergone incongruent silicate mineral weathering concurrent with contaminant uptake. In this project, we studied the impact of background pore water (BPW) on strontium, cesium and iodine desorption and transport in Hanford sediments that were experimentally weathered by contact with simulated hyperalkaline tank waste leachate (STWL) solutions. Using those lab-weathered Hanford sediments (HS) and model precipitates formed during nucleation from homogeneous STWL solutions (HN), we (i) provided thorough characterization of reaction products over a matrix of field-relevant gradients in contaminant concentration, partial pressure of carbon dioxide, and reaction time; (ii) improved molecular-scale understanding of how sorbate speciation controls contaminant desorption from weathered sediments upon removal of caustic sources; and (iii) developed a mechanistic, predictive model of meso- to field-scale contaminant reactive transport under these conditions. In this final report, we provide detailed descriptions of our results from this three-year study, completed in 2012 following a one-year no cost extension.

  10. Semianalytical Solutions of Radioactive or Reactive Tracer Transport in Layered Fractured Media

    SciTech Connect (OSTI)

    G.J. Moridis; G. S. Bodvarsson

    2001-10-01

    In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive tracers (solutes or colloids) through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the matrix account for (a) diffusion, (b) surface diffusion (for solutes only), (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first order chemical reactions. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Additionally, the colloid transport equations account for straining and velocity adjustments related to the colloidal size. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of {sup 3}H, {sup 237}Np and {sup 239}Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity. {sup 239}Pu colloid transport problems in multilayered systems indicate significant colloid accumulations at straining interfaces but much faster transport of the colloid than the corresponding strongly sorbing solute species.

  11. Superparamagnetic iron oxide nanoparticles as radiosensitizer via enhanced reactive oxygen species formation

    SciTech Connect (OSTI)

    Klein, Stefanie; Sommer, Anja [Department of Chemistry and Pharmacy, Physical Chemistry I and ICMM, Friedrich-Alexander University of Erlangen-Nuremberg, Egerlandstr. 3, D-91058 Erlangen (Germany)] [Department of Chemistry and Pharmacy, Physical Chemistry I and ICMM, Friedrich-Alexander University of Erlangen-Nuremberg, Egerlandstr. 3, D-91058 Erlangen (Germany); Distel, Luitpold V.R. [Department of Radiation Oncology, Friedrich Alexander University Erlangen-Nuremberg, Universitaetsstrasse 27, D-91054 Erlangen (Germany)] [Department of Radiation Oncology, Friedrich Alexander University Erlangen-Nuremberg, Universitaetsstrasse 27, D-91054 Erlangen (Germany); Neuhuber, Winfried [Department of Anatomy, Chair of Anatomy I, Friedrich Alexander University Erlangen-Nuremberg, Krankenhausstr. 9, D-91054 Erlangen (Germany)] [Department of Anatomy, Chair of Anatomy I, Friedrich Alexander University Erlangen-Nuremberg, Krankenhausstr. 9, D-91054 Erlangen (Germany); Kryschi, Carola, E-mail: kryschi@chemie.uni-erlangen.de [Department of Chemistry and Pharmacy, Physical Chemistry I and ICMM, Friedrich-Alexander University of Erlangen-Nuremberg, Egerlandstr. 3, D-91058 Erlangen (Germany)] [Department of Chemistry and Pharmacy, Physical Chemistry I and ICMM, Friedrich-Alexander University of Erlangen-Nuremberg, Egerlandstr. 3, D-91058 Erlangen (Germany)

    2012-08-24

    Highlights: Black-Right-Pointing-Pointer Ultrasmall citrate-coated SPIONs with {gamma}Fe{sub 2}O{sub 3} and Fe{sub 3}O{sub 4} structure were prepared. Black-Right-Pointing-Pointer SPIONs uptaken by MCF-7 cells increase the ROS production for about 240%. Black-Right-Pointing-Pointer The SPION induced ROS production is due to released iron ions and catalytically active surfaces. Black-Right-Pointing-Pointer Released iron ions and SPION surfaces initiate the Fenton and Haber-Weiss reaction. Black-Right-Pointing-Pointer X-ray irradiation of internalized SPIONs leads to an increase of catalytically active surfaces. -- Abstract: Internalization of citrate-coated and uncoated superparamagnetic iron oxide nanoparticles by human breast cancer (MCF-7) cells was verified by transmission electron microscopy imaging. Cytotoxicity studies employing metabolic and trypan blue assays manifested their excellent biocompatibility. The production of reactive oxygen species in iron oxide nanoparticle loaded MCF-7 cells was explained to originate from both, the release of iron ions and their catalytically active surfaces. Both initiate the Fenton and Haber-Weiss reaction. Additional oxidative stress caused by X-ray irradiation of MCF-7 cells was attributed to the increase of catalytically active iron oxide nanoparticle surfaces.

  12. Evidence of Reactive Aromatics As a Major Source of Peroxy Acetyl Nitrate over China

    SciTech Connect (OSTI)

    Liu, Zhen; Wang, Yuhang; Gu, Dasa; Zhao, Chun; Huey, L. G.; Stickel, Robert; Liao, Jin; Shao, Min; Zhu, T.; Zeng, Limin; Liu, Shaw C.; Chang, Chih-Chung; Amoroso, Antonio; Costabile, Francesa

    2010-09-15

    We analyze the observations of near-surface peroxy acetyl nitrate (PAN) and its precursors in Beijing, China in August of 2007. The levels of PAN are remarkably high (up to 14 ppbv), surpassing those measured over other urban regions in recent years. Analyses employing a 1-D version of a chemical transport model (Regional chEmical and trAnsport Model, REAM) indicate that aromatic non-methane hydrocarbons (NMHCs) are the dominant (55-75%) PAN source. The major oxidation product of aromatics that produces acetyl peroxy radicals is methylglyoxal (MGLY). PAN and O3 in the observations are correlated at daytime; aromatic NMHCs appear to play an important role in O3 photochemistry. Previous NMHC measurements indicate the presence of reactive aromatics at high levels over broad polluted regions of China. Aromatics are often ignored in global and (to a lesser degree) regional 3D photochemical transport models; their emissions over China as well as photochemistry are quite uncertain.Our findings suggest that critical assessments of aromatics emissions and chemistry (such as the yields of MGLY) are necessary to understand and assess ozone photochemistry and regional pollution export in China.

  13. Poster — Thur Eve — 74: Distributed, asynchronous, reactive dosimetric and outcomes analysis using DICOMautomaton

    SciTech Connect (OSTI)

    Clark, Haley; Wu, Jonn; Moiseenko, Vitali; Thomas, Steven

    2014-08-15

    Many have speculated about the future of computational technology in clinical radiation oncology. It has been advocated that the next generation of computational infrastructure will improve on the current generation by incorporating richer aspects of automation, more heavily and seamlessly featuring distributed and parallel computation, and providing more flexibility toward aggregate data analysis. In this report we describe how a recently created — but currently existing — analysis framework (DICOMautomaton) incorporates these aspects. DICOMautomaton supports a variety of use cases but is especially suited for dosimetric outcomes correlation analysis, investigation and comparison of radiotherapy treatment efficacy, and dose-volume computation. We describe: how it overcomes computational bottlenecks by distributing workload across a network of machines; how modern, asynchronous computational techniques are used to reduce blocking and avoid unnecessary computation; and how issues of out-of-date data are addressed using reactive programming techniques and data dependency chains. We describe internal architecture of the software and give a detailed demonstration of how DICOMautomaton could be used to search for correlations between dosimetric and outcomes data.

  14. Surface growth effects on reactive capillary-driven flow: Lattice Boltzmann investigation

    E-Print Network [OSTI]

    Danilo Sergi; Loris Grossi; Tiziano Leidi; Alberto Ortona

    2014-11-18

    The Washburn law has always played a critical role for ceramics. In the microscale, surface forces take over volume forces and the phenomenon of spontaneous infiltration in narrow interstices becomes of particular relevance. The Lattice Boltzmann method is applied in order to ascertain the role of surface reaction and subsequent deformation of a single capillary in 2D for the linear Washburn behavior. The proposed investigation is motivated by the problem of reactive infiltration of molten silicon into carbon preforms. This is a complex phenomenon arising from the interplay between fluid flow, the transition to wetting, surface growth and heat transfer. Furthermore, it is characterized by slow infiltration velocities in narrow interstices resulting in small Reynolds numbers that are difficult to reproduce with a single capillary. In our simulations, several geometric characteristics for the capillaries are considered, as well as different infiltration and reaction conditions. The main result of our work is that the phenomenon of pore closure can be regarded as independent of the infiltration velocity, and in turn a number of other parameters. The instrumental conclusion drawn from our simulations is that short pores with wide openings and a round-shaped morphology near the throats represent the optimal configuration for the underlying structure of the porous preform in order to achieve faster infiltration. The role of the approximations is discussed in detail and the robustness of our findings is assessed.

  15. Controllable generation of reactive oxygen species by femtosecond-laser irradiation

    SciTech Connect (OSTI)

    Yan, Wei; He, Hao Wang, Yintao; Wang, Yisen; Hu, Minglie; Wang, Chingyue

    2014-02-24

    Femtosecond lasers have been advancing Biophotonics research in the past two decades with multiphoton microscopy, microsurgery, and photodynamic therapy. Nevertheless, laser irradiation is identified to bring photodamage to cells via reactive oxygen species (ROS) generation with unclear mechanism. Meanwhile, currently in biological researches, there is no effective method to provide controllable ROS production precisely, which originally is leaked from mitochondria during respiration and plays a key role in a lot of important cellular processes and cellular signaling pathways. In this study, we show the process of how the tightly focused femtosecond-laser induces ROS generation solely in mitochondria at the very beginning and then release to cytosol if the stimulus is intense enough. At certain weak power levels, the laser pulses induce merely moderate Ca{sup 2+} release but this is necessary for the laser to generate ROS in mitochondria. Cellular original ROS are also involved with a small contribution. When the power is above a threshold, ROS are then released to cytosol, indicating photodamage overwhelming cellular repair ability. The mechanisms in those two cases are quite different. Those results clarify parts of the mechanism in laser-induced ROS generation. Hence, it is possible to further this optical scheme to provide controllable ROS generation for ROS-related biological researches including mitochondrial diseases and aging.

  16. Rapid hydrogen gas generation using reactive thermal decomposition of uranium hydride.

    SciTech Connect (OSTI)

    Kanouff, Michael P.; Van Blarigan, Peter; Robinson, David B.; Shugard, Andrew D.; Gharagozloo, Patricia E.; Buffleben, George M.; James, Scott Carlton; Mills, Bernice E.

    2011-09-01

    Oxygen gas injection has been studied as one method for rapidly generating hydrogen gas from a uranium hydride storage system. Small scale reactors, 2.9 g UH{sub 3}, were used to study the process experimentally. Complimentary numerical simulations were used to better characterize and understand the strongly coupled chemical and thermal transport processes controlling hydrogen gas liberation. The results indicate that UH{sub 3} and O{sub 2} are sufficiently reactive to enable a well designed system to release gram quantities of hydrogen in {approx} 2 seconds over a broad temperature range. The major system-design challenge appears to be heat management. In addition to the oxidation tests, H/D isotope exchange experiments were performed. The rate limiting step in the overall gas-to-particle exchange process was found to be hydrogen diffusion in the {approx}0.5 {mu}m hydride particles. The experiments generated a set of high quality experimental data; from which effective intra-particle diffusion coefficients can be inferred.

  17. Thermal stability and oxygen-loss characteristics of Pt(O) films prepared by reactive sputtering

    SciTech Connect (OSTI)

    Saenger, K.L.; Cabral, C. Jr.; Lavoie, C.; Rossnagel, S.M.

    1999-12-01

    Pt(O) films having compositions ranging from pure Pt to amorphous platinum oxide a-PtO{sub x} (x{approximately}1.4) were prepared by reactive sputtering and examined during and after heating to temperatures used for deposition and processing of high-epsilon (HE) and ferroelectric (FE) materials (400{endash}650&hthinsp;{degree}C). A two stage decomposition process was observed for a-PtO{sub x} (x{approximately}1.4) films heated in N{sub 2}, with the first stage of decomposition beginning at temperatures well below 400&hthinsp;{degree}C. In an O{sub 2} ambient, decomposition was accompanied by formation of a crystalline Pt{sub 3}O{sub 4} phase prior to complete decomposition to metallic Pt. However, the relatively slow rate of oxygen loss from a-PtO{sub x} suggests that significant amounts of oxygen should remain in Pt(O) electrodes after HE/FE layer deposition. {copyright} {ital 1999 American Institute of Physics.}

  18. DYNAMICS OF THE REACTION OF N{sup +} WITH H{sub 2}. V. REACTIVE AND NON-REACTIVE SCATTERING OF N{sup +}({sup 3}p) AT RELATIVE ENERGIES BELOW 3.6 eV.

    SciTech Connect (OSTI)

    Hansen, Steven G.; Farrar, James M.; Mahan, Bruce H.

    1980-05-01

    We have measured product velocity vector distributions for the processes N{sup +}({sup 3}P)(H{sub 2},H)NH{sup +} and N{sup +}({sup 3}P)(H{sub 2},H{sub 2})N+ in the initial relative energy ranges of 0.98~3.60 eV and 0.66~ 2.50 eV respectively using the crossed beam technique. At energies below about 1.9 eV the predominance of a long-lived NH{sub 2}{sup +} complex is inferred from isotropic reactive scattering and a backscattered peak in the non-reactive distributions. Above 1.9 eV there is still a substantial interaction between all three atoms. The dynamics are adequately explained by a mechanism which involves accessing the deep {sup 3}B{sub 1} potential well through an avoided crossing with the {sup 3}A{sub 2} surface when the ·symmetry is relaxed from C{sub 2v} to C{sub s}. The reaction of electronically excited metastable ions, probably N{sup +}({sup 1}D), is seen as a forward peak in the reactive distributions.

  19. Voltage/Pitch Control for Maximization and Regulation of Active/Reactive Powers in Wind Turbines with Uncertainties

    E-Print Network [OSTI]

    Guo, Yi; Jiang, John N; Tang, Choon Yik; Ramakumar, Rama G

    2010-01-01

    This paper addresses the problem of controlling a variable-speed wind turbine with a Doubly Fed Induction Generator (DFIG), modeled as an electromechanically-coupled nonlinear system with rotor voltages and blade pitch angle as its inputs, active and reactive powers as its outputs, and most of the aerodynamic and mechanical parameters as its uncertainties. Using a blend of linear and nonlinear control strategies (including feedback linearization, pole placement, uncertainty estimation, and gradient-based potential function minimization) as well as time-scale separation in the dynamics, we develop a controller that is capable of maximizing the active power in the Maximum Power Tracking (MPT) mode, regulating the active power in the Power Regulation (PR) mode, seamlessly switching between the two modes, and simultaneously adjusting the reactive power to achieve a desired power factor. The controller consists of four cascaded components, uses realistic feedback signals, and operates without knowledge of the C_p-...

  20. Magnitude and reactivity consequences of moisture ingress into the modular High-Temperature Gas-Cooled Reactor core

    SciTech Connect (OSTI)

    Smith, O.L. (Oak Ridge National Lab., TN (United States))

    1992-12-01

    Inadvertent admission of moisture into the primary system of a modular high-temperature gas-cooled reactor has been identified in US Department of Energy-sponsored studies as an important safety concern. The work described here develops an analytical methodology to quantify the pressure and reactivity consequences of steam-generator tube rupture and other moisture-ingress-related incidents. Important neutronic and thermohydraulic processes are coupled with reactivity feedback and safety and control system responses. The rate and magnitude of steam buildup are found to be dominated by major system features such as break size compared with safety valve capacity and reliability and less sensitive to factors such as heat transfer coefficients. The results indicate that ingress transients progress at a slower pace than previously predicted by bounding analyses, with milder power overshoots and more time for operator or automatic corrective actions.

  1. Impact of the control rod consumption on the reactivity control of a SFR break-even core

    SciTech Connect (OSTI)

    Blanchet, D.; Fontaine, B.

    2012-07-01

    Current design studies on Sodium Fast Reactor (SFR) differ from those performed in the past by the fact that design criteria are now those of the Generation IV reactors. In order to improve their safety, reactors with break-even cores are preferred because they minimize the needs in terms of reactivity control and limit the consequences of control rod withdrawal. Furthermore, as the reactivity control needs are low, break-even core enables the use of absorbing materials with reduced efficiency (natural boron, hafnium...). Nevertheless, the use of control rods with few absorbing materials may present the disadvantage of a non-negligible ({approx}10%) loss of efficiency due to their consumption under irradiation. This paper presents a methodology to calculate accurately and analyze this consumption. (authors)

  2. Upscaling of Long-Term U(VI) Desorption from Pore Scale Kinetics to Field-Scale Reactive Transport Models

    SciTech Connect (OSTI)

    Steefel, Carl I.; Li Li; Davis, J.A.; Curtis, G.P.; Honeyman, B.D.; Kent, D.B.; Kohler, M.; Rodriguez, D.R.; Johnson, K.J.; Miller, A.

    2006-06-01

    The focus of the project is the development of scientifically defensible approaches for upscaling reactive transport models (RTM) through a detailed understanding of U(VI) desorption across several spatial scales: bench-, intermediate-, and field-scales. The central hypothesis of the project is that the development of this methodology will lead to a scientifically defensible approach for conceptual model development for multicomponent RTM at contaminated DOE sites, leading to predictive transport simulations with reduced uncertainty.

  3. Determination of reactive oxygen species from ZnO micro-nano structures with shape-dependent photocatalytic activity

    SciTech Connect (OSTI)

    He, Weiwei; Zhao, Hongxiao; Jia, Huimin; Yin, Jun-Jie; Zheng, Zhi

    2014-05-01

    Graphical abstract: ZnO micro/nano structures with shape dependent photocatalytic activity were prepared by hydrothermal reaction. The generations of hydroxyl radical, superoxide and singlet oxygen from irradiated ZnO were identified precisely by electron spin resonance spectroscopy. The type of reactive oxygen species was determined by band gap structure of ZnO. - Highlights: • ZnO micro/nano structures with different morphologies were prepared by solvothermal reaction. • Multi-pod like ZnO structures exhibited superior photocatalytic activity. • The generations of hydroxyl radical, superoxide and singlet oxygen from irradiated ZnO were characterized precisely by electron spin resonance spectroscopy. • The type of reactive oxygen species was determined by band gap structure of ZnO. - Abstract: ZnO micro/nano structures with different morphologies have been prepared by the changing solvents used during their synthesis by solvothermal reaction. Three typical shapes of ZnO structures including hexagonal, bell bottom like and multi-pod formed and were characterized by scanning electron microscopy and X-ray diffraction. Multi pod like ZnO structures exhibited the highest photocatalytic activity toward degradation of methyl orange. Using electron spin resonance spectroscopy coupled with spin trapping techniques, we demonstrate an effective way to identify precisely the generation of hydroxyl radicals, superoxide and singlet oxygen from the irradiated ZnO multi pod structures. The type of reactive oxygen species formed was predictable from the band gap structure of ZnO. These results indicate that the shape of micro-nano structures significantly affects the photocatalytic activity of ZnO, and demonstrate the value of electron spin resonance spectroscopy for characterizing the type of reactive oxygen species formed during photoexcitation of semiconductors.

  4. Reactivation of AKT signaling following treatment of cancer cells with PI3K inhibitors attenuates their antitumor effects

    SciTech Connect (OSTI)

    Dufour, Marc; Dormond-Meuwly, Anne; Pythoud, Catherine; Demartines, Nicolas; Dormond, Olivier

    2013-08-16

    Highlights: •PI3K inhibitors inhibit AKT only transiently. •Re-activation of AKT limits the anti-cancer effect of PI3K inhibitors. •The results suggest to combine PI3K and AKT inhibitors in cancer therapy. -- Abstract: Targeting the phosphatidylinositol-3-kinase (PI3K) is a promising approach in cancer therapy. In particular, PI3K blockade leads to the inhibition of AKT, a major downstream effector responsible for the oncogenic activity of PI3K. However, we report here that small molecule inhibitors of PI3K only transiently block AKT signaling. Indeed, treatment of cancer cells with PI3K inhibitors results in a rapid inhibition of AKT phosphorylation and signaling which is followed by the reactivation of AKT signaling after 48 h as observed by Western blot. Reactivation of AKT signaling occurs despite effective inhibition of PI3K activity by PI3K inhibitors. In addition, wortmannin, a broad range PI3K inhibitor, did not block AKT reactivation suggesting that AKT signals independently of PI3K. In a therapeutical perspective, combining AKT and PI3K inhibitors exhibit stronger anti-proliferative and pro-apoptotic effects compared to AKT or PI3K inhibitors alone. Similarly, in a tumor xenograft mouse model, concomitant PI3K and AKT blockade results in stronger anti-cancer activity compared with either blockade alone. This study shows that PI3K inhibitors only transiently inhibit AKT which limits their antitumor activities. It also provides the proof of concept to combine PI3K inhibitors with AKT inhibitors in cancer therapy.

  5. Sensitivity analysis of reactivity responses using one-dimensional discrete ordinates and three-dimensional Monte Carlo methods

    SciTech Connect (OSTI)

    Williams, M. L.; Gehin, J. C.; Clarno, K. T. [Oak Ridge National Laboratory, Bldg. 5700, P.O. Box 2008, Oak Ridge, TN 37831-6170 (United States)

    2006-07-01

    The TSUNAMI computational sequences currently in the SCALE 5 code system provide an automated approach to performing sensitivity and uncertainty analysis for eigenvalue responses, using either one-dimensional discrete ordinates or three-dimensional Monte Carlo methods. This capability has recently been expanded to address eigenvalue-difference responses such as reactivity changes. This paper describes the methodology and presents results obtained for an example advanced CANDU reactor design. (authors)

  6. Effect of a detailed radial core expansion reactivity feedback model on ATWS calculations using SASSYS/SAS4A

    SciTech Connect (OSTI)

    Wigeland, R.A.

    1986-01-01

    The present emphasis on inherent safety and inherently safe designs for liquid-metal reactors has resulted in a need to represent the various reactivity feedback mechanisms as accurately as possible. In particular, the reactivity feedback from radial core expansion has been found to provide the dominant negative feedback contribution in postulated anticipated transient without scram (ATWS) events. Review of the existing modeling in the SASSYS/SAS4A computer code system revealed that while the modeling may be adequate for the early phases of various unprotected transients, the accuracy would be less than desirable for the extended transients which typically occur for inherently safe designs. The existing model for calculating the reactivity feedback from radial core expansion uses a feedback from radial core expansion uses a feedback coefficient in conjunction with changes in the temperatures of the grid support plate and the above-core load pad. The accuracy of this approach is determined partly by the conditions used in deriving the feedback coefficient, and their relevance to the transient being investigated. Accuracy is also affected by the need to include effects other than those that could be directly related to changes in the grid plate and above-core load pad temperatures, such as subassembly bowing and the potential for clearances to occur between subassemblies in the above-core load pad region. As a result, a detailed model was developed in an attempt to account for these and other effects in a more mechanistic form.

  7. The 'virtual density' principle of neutronics: Toward rapid computation of reactivity effects in practical core distortion scenarios

    SciTech Connect (OSTI)

    Reed, M.; Smith, K.; Forget, B.

    2013-07-01

    Fast reactor core reactivities are sensitive to geometric distortions arising from three distinct phenomena: (1) irradiation swelling of fuel throughout core lifetime, (2) thermal expansion of fuel during transients, and (3) mechanical oscillations during seismic events. Performing comprehensive reactivity analysis of these distortions requires methods for rapidly computing a multitude of minute reactivity changes. Thus, we introduce the 'virtual density' principle of neutronics as a new perturbation technique to achieve this rapid computation. This new method obviates many of the most challenging aspects of conventional geometric perturbation theory. Essentially, this 'virtual density' principle converts geometric perturbations into equivalent material density perturbations (either isotropic or anisotropic), which are highly accurate and comparatively simple to evaluate. While traditional boundary perturbation theory employs surface integrals, the 'virtual density' principle employs equivalent volume integrals. We introduce and validate this method in three subsequent stages: (1) isotropic 'virtual density', (2) anisotropic 'virtual density' for whole cores, and (3) anisotropic 'virtual density' for interior zones within cores. We numerically demonstrate its accuracy for 2-D core flowering scenarios. (authors)

  8. Dynamic modeling of injection-induced fault reactivation and ground motion and impact on surface structures and human perception

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Rutqvist, Jonny; Cappa, Frederic; Rinaldi, Antonio P.; Godano, Maxime

    2014-12-31

    We summarize recent modeling studies of injection-induced fault reactivation, seismicity, and its potential impact on surface structures and nuisance to the local human population. We used coupled multiphase fluid flow and geomechanical numerical modeling, dynamic wave propagation modeling, seismology theories, and empirical vibration criteria from mining and construction industries. We first simulated injection-induced fault reactivation, including dynamic fault slip, seismic source, wave propagation, and ground vibrations. From co-seismic average shear displacement and rupture area, we determined the moment magnitude to about Mw = 3 for an injection-induced fault reactivation at a depth of about 1000 m. We then analyzed themore »ground vibration results in terms of peak ground acceleration (PGA), peak ground velocity (PGV), and frequency content, with comparison to the U.S. Bureau of Mines’ vibration criteria for cosmetic damage to buildings, as well as human-perception vibration limits. For the considered synthetic Mw = 3 event, our analysis showed that the short duration, high frequency ground motion may not cause any significant damage to surface structures, and would not cause, in this particular case, upward CO2 leakage, but would certainly be felt by the local population.« less

  9. Dynamic modeling of injection-induced fault reactivation and ground motion and impact on surface structures and human perception

    SciTech Connect (OSTI)

    Rutqvist, Jonny [Lawrence Berkeley National Lab., CA (United States); Cappa, Frederic [Lawrence Berkeley National Lab., CA (United States); Rinaldi, Antonio P. [Lawrence Berkeley National Lab., CA (United States); Godano, Maxime [Univ. of Nice Sophia-Antipolis (France)

    2014-12-31

    We summarize recent modeling studies of injection-induced fault reactivation, seismicity, and its potential impact on surface structures and nuisance to the local human population. We used coupled multiphase fluid flow and geomechanical numerical modeling, dynamic wave propagation modeling, seismology theories, and empirical vibration criteria from mining and construction industries. We first simulated injection-induced fault reactivation, including dynamic fault slip, seismic source, wave propagation, and ground vibrations. From co-seismic average shear displacement and rupture area, we determined the moment magnitude to about Mw = 3 for an injection-induced fault reactivation at a depth of about 1000 m. We then analyzed the ground vibration results in terms of peak ground acceleration (PGA), peak ground velocity (PGV), and frequency content, with comparison to the U.S. Bureau of Mines’ vibration criteria for cosmetic damage to buildings, as well as human-perception vibration limits. For the considered synthetic Mw = 3 event, our analysis showed that the short duration, high frequency ground motion may not cause any significant damage to surface structures, and would not cause, in this particular case, upward CO2 leakage, but would certainly be felt by the local population.

  10. Reactive sputter deposition of pyrite structure transition metal disulfide thin films: Microstructure, transport, and magnetism

    SciTech Connect (OSTI)

    Baruth, A.; Manno, M.; Narasimhan, D.; Shankar, A.; Zhang, X.; Johnson, M.; Aydil, E. S.; Leighton, C. [Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455 (United States)

    2012-09-01

    Transition metal disulfides crystallizing in the pyrite structure (e.g., TMS{sub 2}, with TM = Fe, Co, Ni, and Cu) are a class of materials that display a remarkably diverse array of functional properties. These properties include highly spin-polarized ferromagnetism (in Co{sub 1-x}Fe{sub x}S{sub 2}), superconductivity (in CuS{sub 2}), an antiferromagnetic Mott insulating ground state (in NiS{sub 2}), and semiconduction with close to optimal parameters for solar absorber applications (in FeS{sub 2}). Exploitation of these properties in heterostructured devices requires the development of reliable and reproducible methods for the deposition of high quality pyrite structure thin films. In this manuscript, we report on the suitability of reactive sputter deposition from metallic targets in an Ar/H{sub 2}S environment as a method to achieve exactly this. Optimization of deposition temperature, Ar/H{sub 2}S pressure ratio, and total working gas pressure, assisted by plasma optical emission spectroscopy, reveals significant windows over which deposition of single-phase, polycrystalline, low roughness pyrite films can be achieved. This is illustrated for the test cases of the ferromagnetic metal CoS{sub 2} and the diamagnetic semiconductor FeS{sub 2}, for which detailed magnetic and transport characterization are provided. The results indicate significant improvements over alternative deposition techniques such as ex situ sulfidation of metal films, opening up exciting possibilities for all-sulfide heterostructured devices. In particular, in the FeS{sub 2} case it is suggested that fine-tuning of the sputtering conditions provides a potential means to manipulate doping levels and conduction mechanisms, critical issues in solar cell applications. Parenthetically, we note that conditions for synthesis of phase-pure monosulfides and thiospinels are also identified.

  11. Interfacial Microstructure Formed by Reactive Metal Penetration of Al into Mullite

    SciTech Connect (OSTI)

    Du, T.B.; Ewsuk, K.G.; Fahrenholtz, W.G.; Loehman, R.E.; Lu, P.

    1999-04-27

    Microstructure in the reaction interface between molten Al and dense mullite have been studied by transmission electron microscopy to provide insight into mechanisms for forming ceramic-metal composites by reactive metal penetration. The reactions, which have the overall stoichiometry, 3Al#iz01~ + (8+ x)A1 + 13 AlzO~ + xA1 + 6Si, were carried out at temperatures of 900, 1100, and 1200oC for 5 minutes and 60 minutes, and 1400oC for 15 minutes. Observed phases generally were those given in the above reaction, although their proportions and interracial rnicrostructures differed strongly with reaction temperature. After reaction at 900oC, a thin Al layer separated unreacted mullite from the cx-AlzO~ and Al reaction products. No Si phase was found near the reaction front. After 5 minutes at 1100"C, the nxtction front contained Si, ct-A120~, and an aluminum oxide phase with a high concentration of Si. After 60 minutes at 11O(YC many of the cx-A120g particles were needle-shaped with a preferred orientation. After reaction at 1200oC, the reaction front contained a high density of Si particles that formed a continuous layer over many of the mullite grains. The sample reacted at 140VC for 15 minutes had a dense ct-A120J reaction layer less than 2~m thick. Some isolated Si particles were present between the a-AlzO~ layer and the unreacted mullite. Using previously measured reaction kinetics data, the observed temperature dependence of the interracial microstructure have been modeled as three sequential steps, each one of which is rate-limiting in a different temperature range.

  12. Synthesis and characterization of inorganic silicon oxycarbide glass thin films by reactive rf-magnetron sputtering

    SciTech Connect (OSTI)

    Ryan, Joseph V.; Pantano, C. G.

    2007-01-03

    Silicon oxycarbide glasses have been of interest because of the potential range of properties they might exhibit through a change in carbon-to-oxygen ratio. They are metastable materials and, as such, their structures and properties are very dependent upon the synthesis method. Silicon oxycarbide bonding has been seen in materials made by melting, oxidation, polycarbosilane or sol/gel pyrolysis, and chemical vapor deposition. In this work, the radio-frequency reactive sputtering of silicon carbide targets was explored for synthesis of amorphous silicon oxycarbide thin films. SiO (2?2x) Cx films, with a continuous range of compositions where 0

  13. Tin removal from extreme ultraviolet collector optics by inductively coupled plasma reactive ion etching

    SciTech Connect (OSTI)

    Shin, H.; Srivastava, S. N.; Ruzic, D. N. [Center for Plasma Material Interactions, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)

    2008-05-15

    Tin (Sn) has the advantage of delivering higher conversion efficiency compared to other fuel materials (e.g., Xe or Li) in an extreme ultraviolet (EUV) source, a necessary component for the leading next generation lithography. However, the use of a condensable fuel in a lithography system leads to some additional challenges for maintaining a satisfactory lifetime of the collector optics. A critical issue leading to decreased mirror lifetime is the buildup of debris on the surface of the primary mirror that comes from the use of Sn in either gas discharge produced plasma (GDPP) or laser produced plasma (LPP). This leads to a decreased reflectivity from the added material thickness and increased surface roughness that contributes to scattering. Inductively coupled plasma reactive ion etching with halide ions is one potential solution to this problem. This article presents results for etch rate and selectivity of Sn over SiO{sub 2} and Ru. The Sn etch rate in a chlorine plasma is found to be much higher (of the order of hundreds of nm/min) than the etch rate of other materials. A thermally evaporated Sn on Ru sample was prepared and cleaned using an inductively coupled plasma etching method. Cleaning was confirmed using several material characterization techniques. Furthermore, a collector mock-up shell was then constructed and etching was performed on Sn samples prepared in a Sn EUV source using an optimized etching recipe. The sample surface before and after cleaning was analyzed by atomic force microscopy, x-ray photoelectron spectroscopy, and Auger electron spectroscopy. The results show the dependence of etch rate on the location of Sn samples placed on the collector mock-up shell.

  14. On the reactive adsorption of ammonia on activated carbons modified by impregnation with inorganic compounds

    SciTech Connect (OSTI)

    Bandosz, T.J.; Petit, C. [CUNY City College, New York, NY (United States). Dept. of Chemistry

    2009-10-15

    Ammonia adsorption was studied under dynamic conditions, at room temperature, on activated carbons of different origins (coal-based, wood-based and coconut-shell-based carbons) before and after their impregnation with various inorganic compounds including metal chlorides, metal oxides and polycations. The role of humidity was evaluated by running tests in both dry and moist conditions. Adsorbents were analyzed before and after exposure to ammonia by thermal analyses, sorption of nitrogen, potentiometric titration, X-ray diffraction and FTIR spectroscopy. Results of breakthrough tests show significant differences in terms of adsorption capacity depending on the parent carbon, the impregnates and the experimental conditions. It is found that surface chemistry governs ammonia adsorption on the impregnated carbons. More precisely, it was demonstrated that a proper combination of the surface pH, the strength, type and amount of functional groups present on the adsorbents' surface is a key point in ammonia uptake. Water can have either positive or negative effects on the performance of adsorbents. It can enhance NH{sub 3} adsorption capacity since it favors ammonia dissolution and thus enables reaction between ammonium ions and carboxylic groups from the carbons' surface. On the other hand, water can also reduce the performance from the strength of adsorption standpoint. It promotes dissolution of ammonia and that ammonia is first removed from the system when the adsorbent bed is purged with air. Ammonia, besides adsorption by van der Waals forces and dissolution in water, is also retained on the surface via reactive mechanisms such as acid-base reactions (Bronsted and Lewis) or complexation. Depending on the materials used and the experimental conditions, 6-47% ammonia adsorbed is strongly retained on the surface even when the bed is purged with air.

  15. Viscosity of ?-pinene secondary organic material and implications for particle growth and reactivity

    SciTech Connect (OSTI)

    Renbaum-Wolff, Lindsay; Grayson, James W.; Bateman, Adam P.; Kuwata, Mikinori; Sellier, Mathieu; Murray, Benjamin J.; Shilling, John E.; Martin, Scot T.; Bertram, Allan K.

    2013-05-14

    Particles composed of secondary organic material (SOM) are abundant in the lower troposphere and play important roles in climate, air quality, and health. The viscosity of these particles is a fundamental property that is presently poorly quantified for conditions relevant to the lower troposphere. Using two new techniques, namely a bead-mobility technique and a poke-flow technique, in conjunction with simulations of fluid flow, we measure the viscosity of the watersoluble component of SOM produced by ?-pinene ozonolysis. The viscosity is comparable to that of honey at 90% relative humidity (RH), comparable to that of peanut butter at 70% RH and greater than or comparable to that of bitumen for ? 30% RH, implying that the studied SOM ranges from liquid to semisolid/solid at ambient relative humidities. With the Stokes-Einstein relation, the measured viscosities further imply that the growth and evaporation of SOM by the exchange of organic molecules between the gas and condensed phases may be confined to the surface region when RH ? 30%, suggesting the importance of an adsorption-type mechanism for partitioning in this regime. By comparison, for RH ? 70% partitioning of organic molecules may effectively occur by an absorption mechanism throughout the bulk of the particle. Finally, the net uptake rates of semi-reactive atmospheric oxidants such as O3 are expected to decrease by two to five orders of magnitude for a change in RH from 90% to ? 30% RH, with possible implications for the rates of chemical aging of SOM particles in the atmosphere.

  16. IGF-I enhances cellular senescence via the reactive oxygen species-p53 pathway

    SciTech Connect (OSTI)

    Handayaningsih, Anastasia-Evi; Takahashi, Michiko; Fukuoka, Hidenori; Iguchi, Genzo; Nishizawa, Hitoshi; Yamamoto, Masaaki; Suda, Kentaro; Takahashi, Yutaka

    2012-08-24

    Highlights: Black-Right-Pointing-Pointer Cellular senescence plays an important role in tumorigenesis and aging process. Black-Right-Pointing-Pointer We demonstrated IGF-I enhanced cellular senescence in primary confluent cells. Black-Right-Pointing-Pointer IGF-I enhanced cellular senescence in the ROS and p53-dependent manner. Black-Right-Pointing-Pointer These results may explain the underlying mechanisms of IGF-I involvement in tumorigenesis and in regulation of aging. -- Abstract: Cellular senescence is characterized by growth arrest, enlarged and flattened cell morphology, the expression of senescence-associated {beta}-galactosidase (SA-{beta}-gal), and by activation of tumor suppressor networks. Insulin-like growth factor-I (IGF-I) plays a critical role in cellular growth, proliferation, tumorigenesis, and regulation of aging. In the present study, we show that IGF-I enhances cellular senescence in mouse, rat, and human primary cells in the confluent state. IGF-I induced expression of a DNA damage marker, {gamma}H2AX, the increased levels of p53 and p21 proteins, and activated SA-{beta}-gal. In the confluent state, an altered downstream signaling of IGF-I receptor was observed. Treatment with a reactive oxygen species (ROS) scavenger, N-acetylcystein (NAC) significantly suppressed induction of these markers, indicating that ROS are involved in the induction of cellular senescence by IGF-I. In p53-null mouse embryonic fibroblasts, the IGF-I-induced augmentation of SA-{beta}-gal and p21 was inhibited, demonstrating that p53 is required for cellular senescence induced by IGF-I. Thus, these data reveal a novel pathway whereby IGF-I enhances cellular senescence in the ROS and p53-dependent manner and may explain the underlying mechanisms of IGF-I involvement in tumorigenesis and in regulation of aging.

  17. Lattice Boltzmann simulations on the role of channel structure for reactive capillary infiltration

    E-Print Network [OSTI]

    Danilo Sergi; Loris Grossi; Tiziano Leidi; Alberto Ortona

    2015-05-21

    It is widely recognized that the structure of porous media is of relevance for a variety of mechanical and physical phenomena. The focus of the present work is on capillarity, a pore-scale process occurring at the micron scale. We attempt to characterize the influence of pore shape for capillary infiltration by means of Lattice Boltzmann simulations in 2D with reactive boundaries leading to surface growth and ultimately to pore closure. The systems under investigation consist of single channels with different simplified morphologies: namely, periodic profiles with sinusoidal, step-shaped and zig-zag walls, as well as constrictions and expansions with rectangular, convex and concave steps. This is a useful way to decompose the complexity of typical porous media into basic structures. The simulations show that the minimum radius alone fails to characterize properly the infiltration dynamics. The structure of the channels emerge as the dominant property controlling the process. A factor responsible for this behavior is identified as being the occurrence of pinning of the contact line. It turns out that the optimal configuration for the pore structure arises from the packing of large particles with round shapes. In this case, the probability to have flow paths wide and straight is higher. Faceted surfaces presenting sharp edges should be avoided because of the phenomenon of pinning near narrow-to-wide parts. This study is motivated by the infiltration of molten metals into carbon preforms. This is a manufacturing technique for ceramic components devised to advanced applications. Guidelines for experimental work are discussed.

  18. Tuning the reactivity of mononuclear nonheme manganese(iv)-oxo complexes by triflic acid

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Chen, Junying; Yoon, Heejung; Lee, Yong -Min; Seo, Mi Sook; Sarangi, Ritimukta; Fukuzumi, Shunichi; Nam, Wonwoo

    2015-04-14

    Triflic acid (HOTf)-bound nonheme Mn(IV)-oxo complexes, [(L)MnIV(O)]2+–(HOTf)2 (L = N4Py and Bn-TPEN; N4Py = N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine and Bn-TPEN = N-benzyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine), were synthesized by adding HOTf to the solutions of the [(L)MnIV(O)]2+ complexes and were characterized by various spectroscopies. The one-electron reduction potentials of the MnIV(O) complexes exhibited a significant positive shift upon binding of HOTf. The driving force dependences of electron transfer (ET) from electron donors to the MnIV(O) and MnIV(O)–(HOTf)2 complexes were examined and evaluated in light of the Marcus theory of ET to determine the reorganization energies of ET. The smaller reorganization energies and much more positive reduction potentialsmore »of the [(L)MnIV(O)]2+–(HOTf)2 complexes resulted in greatly enhanced oxidation capacity towards one-electron reductants and para-X-substituted-thioanisoles. The reactivities of the Mn(IV)-oxo complexes were markedly enhanced by binding of HOTf, such as a 6.4 × 105-fold increase in the oxygen atom transfer (OAT) reaction (i.e., sulfoxidation). Such a remarkable acceleration in the OAT reaction results from the enhancement of ET from para-X-substituted-thioanisoles to the MnIV(O) complexes as revealed by the unified ET driving force dependence of the rate constants of OAT and ET reactions of [(L)MnIV(O)]2+–(HOTf)2. In contrast, deceleration was observed in the rate of H-atom transfer (HAT) reaction of [(L)MnIV(O)]2+–(HOTf)2 complexes with 1,4-cyclohexadiene as compared with those of the [(L)MnIV(O)]2+ complexes. Thus, the binding of two HOTf molecules to the MnIV(O) moiety resulted in remarkable acceleration of the ET rate when the ET is thermodynamically feasible. When the ET reaction is highly endergonic, the rate of the HAT reaction is decelerated due to the steric effect of the counter anion of HOTf.« less

  19. Influence of cluster–support interactions on reactivity of size-selected NbxOy clusters

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Nakayama, Miki; Xue, Meng; An, Wei; Liu, Ping; White, Michael G.

    2015-04-17

    Size-selected niobium oxide nanoclusters (Nb3O5, Nb3O7, Nb4O7, and Nb4O10) were deposited at room temperature onto a Cu(111) surface and a thin film of Cu2O on Cu(111), and their interfacial electronic interactions and reactivity toward water dissociation were examined. These clusters were specifically chosen to elucidate the effects of the oxidation state of the metal centers; Nb3O5 and Nb4O7 are the reduced counterparts of Nb3O7 and Nb4O10, respectively. From two-photon photoemission spectroscopy (2PPE) measurements, we found that the work function increases upon cluster adsorption in all cases, indicating a negative interfacial dipole moment with the positive end pointing into the surface.more »The amount of increase was greater for the clusters with more metal centers and higher oxidation state. Additional analysis with DFT calculations of the clusters on Cu(111) indicated that the reduced clusters donate electrons to the substrate, indicating that the intrinsic cluster dipole moment makes a larger contribution to the overall interfacial dipole moment than charge transfer. X-ray photoelectron spectroscopy (XPS) measurements showed that the Nb atoms of Nb3O7 and Nb4O10 are primarily Nb5+ on Cu(111), while for the reduced Nb3O5 and Nb4O7 clusters, a mixture of oxidation states was observed on Cu(111). Temperature-programmed desorption (TPD) experiments with D2O showed that water dissociation occurred on all systems except for the oxidized Nb3O7 and Nb4O10 clusters on the Cu2O film. A comparison of our XPS and TPD results suggests that Nb5+ cations associated with Nb=O terminal groups act as Lewis acid sites which are key for water binding and subsequent dissociation. TPD measurements of 2-propanol dehydration also show that the clusters active toward water dissociation are indeed acidic. DFT calculations of water dissociation on Nb3O7 support our TPD results, but the use of bulk Cu2O(111) as a model for the Cu2O film merits future scrutiny in terms of interfacial charge transfer. The combination of our experimental and theoretical results suggests that both Lewis acidity and metal reducibility are important for water dissociation.« less

  20. Cationic Gold Clusters Ligated with Differently Substituted Phosphines: Effect of Substitution on Ligand Reactivity and Binding

    SciTech Connect (OSTI)

    Johnson, Grant E.; Olivares, Astrid M.; Hill, David E.; Laskin, Julia

    2015-01-01

    We present a systematic study of the effect of the number of methyl (Me) and cyclohexyl (Cy) functional groups in monodentate phosphine ligands on the solution-phase synthesis of ligated sub-nanometer gold clusters and their gas-phase fragmentation pathways. Small mixed ligand cationic gold clusters were synthesized using ligand exchange reactions between pre-formed triphenylphosphine ligated (PPh3) gold clusters and monodentate Me- and Cy-substituted ligands in solution and characterized using electrospray ionization mass spectrometry (ESI-MS) and collision-induced dissociation (CID) experiments. Under the same experimental conditions, larger gold-PPh3 clusters undergo efficient exchange of unsubstituted PPh3 ligands for singly Me- and Cy-substituted PPh2Me and PPh2Cy ligands. The efficiency of ligand exchange decreases with an increasing number of Me or Cy groups in the substituted phosphine ligands. CID experiments performed for a series of ligand-exchanged gold clusters indicate that loss of a neutral Me-substituted ligand is preferred over loss of a neutral PPh¬3 ligand while the opposite trend is observed for Cy-substituted ligands. The branching ratio of the competing ligand loss channels is strongly correlated with the electron donating ability of the phosphorous lone pair as determined by the relative proton affinity of the ligand. The results indicate that the relative ligand binding energies increase in the order PMe3 < PPhMe2 < PPh2Me < PPh3< PPh2Cy < PPhCy2< PCy3. Furthermore, the difference in relative ligand binding energies increases with the number of substituted PPh3-mMem or PPh3-mCym ligands (L) exchanged onto each cluster. This study provides the first experimental determination of the relative binding energies of ligated gold clusters containing differently substituted monophosphine ligands, which are important to controlling their synthesis and reactivity in solution. The results also indicate that ligand substitution is an important parameter that must be considered in theoretical modeling of these complex systems

  1. STARTUP REACTIVITY ACCOUNTABILITY ATTRIBUTED TO ISOTOPIC TRANSMUTATIONS IN THE IRRADIATED BERYLLIUM REFLECTOR OF THE HIGH FLUX ISTOTOPE REACTOR

    SciTech Connect (OSTI)

    Chandler, David [ORNL] [ORNL; Maldonado, G Ivan [ORNL] [ORNL; Primm, Trent [ORNL] [ORNL

    2010-01-01

    The objective of this study is to develop a methodology to predict the reactivity impact as a function of outage time between cycles of 3He, 6Li, and other poisons in the High Flux Isotope Reactor s (HFIR) beryllium reflector. The reactivity worth at startup of the HFIR has been incorrectly predicted in the past after the reactor has been shut-down for long periods of time. The incorrect prediction was postulated to be due to the erroneous calculation of 3He buildup in the beryllium reflector. It is necessary to develop a better estimate of the start-of-cycle symmetric critical control element positions since if the estimated and actual symmetrical critical control element positions differ by more than $1.55 in reactivity (approximately one-half inch in control element startup position), HFIR is to be shutdown and a technical evaluation is performed to resolve the discrepancy prior to restart. 3He is generated and depleted during operation, but during an outage, the depletion of 3He ceases because it is a stable isotope. 3He is born from the radioactive decay of tritium, and thus the concentration of 3He increases during shutdown. The computer program SCALE, specifically the TRITON and CSAS5 control modules including the KENO V.A, COUPLE, and ORIGEN functional modules were utilized in this study. An equation relating the down time (td) to the change in symmetric control element position was generated and validated against measurements for approximately 40 HFIR operating cycles. The newly-derived correlation was shown to improve accuracy of predictions for long periods of down time.

  2. The effects of phosphorous donor ligand substitution on the reactivity of anionic group 6 transition metal carbonyl hydrides 

    E-Print Network [OSTI]

    Lusk, Richard Jay

    1986-01-01

    in THP, followed by protonation with methanol, gave rise to a new group of chromium and tungsten hydrides, 7 HM(CO) P . The importance of the P-substituted hydr ides is enhanced 4 reactivity as well as the possibility of selective hydride transfer... reduction products were thus benzyl alcohol and octane. Initial GC runs were undertaken using THF solutions of benzyl alcohol of three different concentrations, corresponding to yields of 25, 100, and 150$. Each of the three also contained an equivalent...

  3. Study of Inhibition, Reactivation and Aging Processes of Pesticides Using Graphene Nanosheets/Gold Nanoparticles-Based Acetylcholinesterase Biosensor

    SciTech Connect (OSTI)

    Zhang, Lin; Long, Linjuan; Zhang, Weiying; Du, Dan; Lin, Yuehe

    2012-09-10

    Organophosphate (OP) and carbamate pesticides exert their toxicity via attacking the hydroxyl moiety of serine in the 'active site' of acetylcholinesterase (AChE). In this paper we developed a stable AChE biosensor based on self-assembling AChE to graphene nanosheet (GN)-gold nanoparticles (AuNPs) nanocomposite electrode for investigation of inhibition, reactivation and aging processes of different pesticides. It is confirmed that pesticides can inhibit AChE in a short time. OPs poisoning is treatable with oximes while carbarmates exposure is insensitive to oximes. The proposed electrochemical approach thus provides a new simple tool for comparison of pesticide sensitivity and guide of therapeutic intervention.

  4. Light-assisted ion-neutral reactive processes in the cold regime: radiative molecule formation vs. charge exchange

    E-Print Network [OSTI]

    Hall, Felix H J; Bouloufa, Nadia; Dulieu, Olivier; Willitsch, Stefan

    2011-01-01

    We present a combined experimental and theoretical study of cold reactive collisions between laser-cooled Ca+ ions and Rb atoms in an ion-atom hybrid trap. We observe rich chemical dynamics consisting of a complex interplay between non-adiabatic and radiative charge exchange as well as radiative molecule formation which are interpreted using high-level electronic structure calculations. We study the role of light-assisted processes and show that the efficiency of the dominant chemical pathways is considerably enhanced in excited reaction channels. Our results point to a general framework of radiative and non-radiative processes dominating the cold chemistry in ion-atom hybrid traps.

  5. Quantifying and Addressing the DOE Material Reactivity Requirements with Analysis and Testing of Hydrogen Storage Materials & Systems

    SciTech Connect (OSTI)

    Khalil, Y. F

    2015-01-05

    The objective of this project is to examine safety aspects of candidate hydrogen storage materials and systems being developed in the DOE Hydrogen Program. As a result of this effort, the general DOE safety target will be given useful meaning by establishing a link between the characteristics of new storage materials and the satisfaction of safety criteria. This will be accomplished through the development and application of formal risk analysis methods, standardized materials testing, chemical reactivity characterization, novel risk mitigation approaches and subscale system demonstration. The project also will collaborate with other DOE and international activities in materials based hydrogen storage safety to provide a larger, highly coordinated effort.

  6. Langevin and Fokker-Planck analyses of inhibited molecular passing processes controlling transport and reactivity in nanoporous materials

    SciTech Connect (OSTI)

    Wang, Chi-Jen [Ames Laboratory; Ackerman, David M. [Ames Laboratory; Slowing, Igor I. [Ames Laboratory; Evans, James W. [Ames Laboratory

    2014-07-14

    Inhibited passing of reactant and product molecules within the linear pores of nanoporous catalytic materials strongly reduces reactivity. The dependence of the passing propensity P on pore radius R is analyzed utilizing Langevin dynamics to account for solvent effects. We find that P?(R?Rc)?, where passing is sterically blocked for R?Rc, with ? below the transition state theory value. Deeper insight comes from analysis of the corresponding high-dimensional Fokker-Planck equation, which facilitates an effective small-P approximation, and dimensional reduction enabling utilization of conformal mapping ideas. We analyze passing for spherical molecules and also assess the effect of rotational degrees of freedom for elongated molecules.

  7. Physical properties and band structure of reactive molecular beam epitaxy grown oxygen engineered HfO{sub 2{+-}x}

    SciTech Connect (OSTI)

    Hildebrandt, Erwin; Kurian, Jose; Alff, Lambert [Institute of Materials Science, Technische Universitaet Darmstadt, 64287 Darmstadt (Germany)

    2012-12-01

    We have conducted a detailed thin film growth structure of oxygen engineered monoclinic HfO{sub 2{+-}x} grown by reactive molecular beam epitaxy. The oxidation conditions induce a switching between (111) and (002) texture of hafnium oxide. The band gap of oxygen deficient hafnia decreases with increasing amount of oxygen vacancies by more than 1 eV. For high oxygen vacancy concentrations, defect bands form inside the band gap that induce optical transitions and p-type conductivity. The resistivity changes by several orders of magnitude as a function of oxidation conditions. Oxygen vacancies do not give rise to ferromagnetic behavior.

  8. Program for certification of waste from contained firing facility: Establishment of waste as non-reactive and discussion of potential waste generation problems

    SciTech Connect (OSTI)

    Green, L.; Garza, R.; Maienschein, J.; Pruneda, C.

    1997-09-30

    Debris from explosives testing in a shot tank that contains 4 weight percent or less of explosive is shown to be non-reactive under the specified testing protocol in the Code of Federal Regulations. This debris can then be regarded as a non-hazardous waste on the basis of reactivity, when collected and packaged in a specified manner. If it is contaminated with radioactive components (e.g. depleted uranium), it can therefore be disposed of as radioactive waste or mixed waste, as appropriate (note that debris may contain other materials that render it hazardous, such as beryllium). We also discuss potential waste generation issues in contained firing operations that are applicable to the planned new Contained Firing Facility (CFF). The goal of this program is to develop and document conditions under which shot debris from the planned Contained Firing Facility (CFF) can be handled, shipped, and accepted for waste disposal as non-reactive radioactive or mixed waste. This report fulfills the following requirements as established at the outset of the program: 1. Establish through testing the maximum level of explosive that can be in a waste and still have it certified as non-reactive. 2. Develop the procedure to confirm the acceptability of radioactive-contaminated debris as non-reactive waste at radioactive waste disposal sites. 3. Outline potential disposal protocols for different CFF scenarios (e.g. misfires with scattered explosive).

  9. TOURGHREACT: A Simulation Program for Non-isothermal MultiphaseReactive Geochemical Transport in Variably Saturated GeologicMedia

    SciTech Connect (OSTI)

    Xu, Tianfu; Sonnenthal, Eric; Spycher, Nicolas; Pruess, Karsten

    2004-12-07

    TOUGHREACT is a numerical simulation program for chemically reactive non-isothermal flows of multiphase fluids in porous and fractured media. The program was written in Fortran 77 and developed by introducing reactive geochemistry into the multiphase fluid and heat flow simulator TOUGH2. A variety of subsurface thermo-physical-chemical processes are considered under a wide range of conditions of pressure, temperature, water saturation, ionic strength, and pH and Eh. Interactions between mineral assemblages and fluids can occur under local equilibrium or kinetic rates. The gas phase can be chemically active. Precipitation and dissolution reactions can change formation porosity and permeability. The program can be applied to many geologic systems and environmental problems, including geothermal systems, diagenetic and weathering processes, subsurface waste disposal, acid mine drainage remediation, contaminant transport, and groundwater quality. Here we present two examples to illustrate applicability of the program: (1) injectivity effects of mineral scaling in a fractured geothermal reservoir and (2) CO2 disposal in a deep saline aquifer.

  10. Gas-Phase Reactions of Doubly Charged Lanthanide Cations with Alkanes and Alkenes. Trends in Metal(2+) Reactivity

    SciTech Connect (OSTI)

    Gibson, John K.; Marcalo, Joaquim; Santos, Marta; Pires de Matos, Antonio; Haire, Richard G.

    2008-12-08

    The gas-phase reactivity of doubly-charged lanthanide cations, Ln2+ (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu), with alkanes (methane, ethane, propane, n-butane) and alkenes (ethene, propene, 1-butene) was studied by Fourier transform ion cyclotron resonance mass spectrometry. The reaction products consisted of different combinations of doubly-charged organometallic ions?adducts or species formed via metal-ion-induced hydrogen, dihydrogen, alkyl, or alkane eliminations from the hydrocarbons?and singly-charged ions that resulted from electron, hydride, or methide transfers from the hydrocarbons to the metal ions. The only lanthanide cations capable of activating the hydrocarbons to form doubly-charged organometallic ions were La2+, Ce2+, Gd2+, and Tb2+, which have ground-state or low-lying d1 electronic configurations. Lu2+, with an accessible d1 electronic configuration but a rather high electron affinity, reacted only through transfer channels. The remaining Ln2+ reacted via transfer channels or adduct formation. The different accessibilities of d1 electronic configurations and the range of electron affinities of the Ln2+ cations allowed for a detailed analysis of the trends for metal(2+) reactivity and the conditions for occurrence of bond activation, adduct formation, and electron, hydride, and methide transfers.

  11. Real Power and Reactive Power Control of a Three-Phase Single-Stage-PV System and PV voltage Stability

    SciTech Connect (OSTI)

    Li, Huijuan; Xu, Yan; Adhikari, Sarina; Rizy, D Tom; Li, Fangxing; Irminger, Philip

    2012-01-01

    Grid-connected photovoltaic (PV) systems with power electronic interfaces can provide both real and reactive power to meet power system needs with appropriate control algorithms. This paper presents the control algorithm design for a three-phase single-stage grid-connected PV inverter to achieve either maximum power point tracking (MPPT) or a certain amount of real power injection, as well as the voltage/var control. The switching between MPPT control mode and a certain amount of real power control mode is automatic and seamless. Without the DC-to-DC booster stage, PV DC voltage stability is an important issue in the control design especially when the PV inverter is operating at maximum power point (MPP) with voltage/var control. The PV DC voltage collapse phenomenon and its reason are discussed. The method based on dynamic correction of the PV inverter output is proposed to ensure PV DC voltage stability. Simulation results of the single-stage PV system during system disturbances and fast solar irradiation changes confirm that the proposed control algorithm for single-stage PV inverters can provide appropriate real and reactive power services and ensure PV DC voltage stability during dynamic system operation and atmospheric conditions.

  12. TOUGHREACT User's Guide: A Simulation Program for Non-isothermal Multiphase Reactive geochemical Transport in Variable Saturated Geologic Media

    SciTech Connect (OSTI)

    Xu, Tianfu; Sonnenthal, Eric; Spycher, Nicolas; Pruess, Karsten

    2004-05-24

    Coupled modeling of subsurface multiphase fluid and heat flow, solute transport and chemical reactions can be used for the assessment of mineral alteration in hydrothermal systems, waste disposal sites, acid mine drainage remediation, contaminant transport, and groundwater quality. A comprehensive non-isothermal multi-component reactive fluid flow and geochemical transport simulator, TOUGHREACT, has been developed. A wide range of subsurface thermo-physical-chemical processes is considered under various thermohydrological and geochemical conditions of pressure, temperature, water saturation, and ionic strength. The program can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity. The model can accommodate any number of chemical species present in liquid, gas and solid phases. A variety of equilibrium chemical reactions are considered, such as aqueous complexation, gas dissolution/exsolution, and cation exchange. Mineral dissolution/precipitation can proceed either subject to local equilibrium or kinetic conditions. Changes in porosity and permeability due to mineral dissolution and precipitation can be considered. Linear adsorption and decay can be included. For the purpose of future extensions, surface complexation by double layer model is coded in the program. Xu and Pruess (1998) developed a first version of a non-isothermal reactive geochemical transport model, TOUGHREACT, by introducing reactive geochemistry into the framework of the existing multi-phase fluid and heat flow code TOUGH2 (Pruess, 1991). Xu, Pruess, and their colleagues have applied the program to a variety of problems such as: (1) supergene copper enrichment (Xu et al, 2001), (2) caprock mineral alteration in a hydrothermal system (Xu and Pruess, 2001a), and (3) mineral trapping for CO{sub 2} disposal in deep saline aquifers (Xu et al, 2003b and 2004a). For modeling the coupled thermal, hydrological, and chemical processes during heater tests at proposed nuclear waste disposal site at Yucca Mountain (Nevada), Sonnenthal and Spycher (2000) and Spycher et al. (2003) enhanced TOUGHREACT on (1) high temperature geochemistry, (2) mineral reactive surface area calculations, and (3) porosity and permeability changes due to mineral alteration. On the other hand, Pruess et al. (1999) updated the TOUGH2 simulator to TOUGH2 V2. The present version of TOUGHREACT was developed by introducing the work of Sonnenthal and Spycher (2000) to the original work of Xu and Pruess (1998), and by replacing TOUGH2 (Pruess, 1991) by TOUGH2 V2 (Pruess et al, 1999). The TOUGHREACT program makes use of ''self-documenting'' features. It is distributed with a number of input data files for sample problems. Besides providing benchmarks for proper code installation, these can serve as self-teaching tutorial in the use of TOUGHREACT, and they provide templates to help jump-start new applications. The fluid and heat flow part of TOUGHREACT is derived from TOUGH2 V2, so in addition to the current manual, users must have manual of the TOUGH2 V2 (Pruess et al., 1999). The present version of TOUGHREACT provides the following different TOUGH2 fluid property or ''EOS'' (equation-of-state) modules: (1) EOS1 for water, or two waters with typical applications to hydrothermal problems, (2) EOS2 for multiphase mixtures of water and CO{sub 2} also with typical applications to hydrothermal problems, (3) EOS3 for multiphase mixtures of water and air with typical applications to vadose zone and nuclear waste disposal problems, (4) EOS4 that has the same capabilities as EOS3 but with vapor pressure lowering effects due to capillary pressure, (5) EOS9 for single phase water (Richards. equation) with typical applications to ambient reactive geochemical transport problems, (6) ECO2 for multiphase mixtures of water, CO{sub 2} and NaCl with typical applications to CO{sub 2} disposal in deep brine aquifers.

  13. Quantitative assessment of alkali-reactive aggregate mineral content through XRD using polished sections as a supplementary tool to RILEM AAR-1 (petrographic method)

    SciTech Connect (OSTI)

    Castro, Nelia; Sorensen, Bjorn E.; Broekmans, Maarten A.T.M.

    2012-11-15

    The mineral content of 5 aggregate samples from 4 different countries, including reactive and non-reactive aggregate types, was assessed quantitatively by X-ray diffraction (XRD) using polished sections. Additionally, electron probe microanalyzer (EPMA) mapping and cathodoluminescence (CL) were used to characterize the opal-CT identified in one of the aggregate samples. Critical review of results from polished sections against traditionally powdered specimen has demonstrated that for fine-grained rocks without preferred orientation the assessment of mineral content by XRD using polished sections may represent an advantage over traditional powder specimens. Comparison of data on mineral content and silica speciation with expansion data from PARTNER project confirmed that the presence of opal-CT plays an important role in the reactivity of one of the studied aggregates. Used as a complementary tool to RILEM AAR-1, the methodology suggested in this paper has the potential to improve the strength of the petrographic method.

  14. Comparison of reactive magnesia-, carbide slag-activated ground granulated blastfurnace slag and Portland cement for stabilisation of a natural soil

    E-Print Network [OSTI]

    Yi, Yaolin; Zheng, Xu; Liu, Songyu; Al-Tabbaa, Abir

    2015-04-11

    -Tabbaa, 2013). Compared to PC, less energy is required for manufacturing reactive MgO (~2400 MJ/t MgO) due to its lower calcination temperature, and renewable energy sources can be used (Liska, 2009). Manufacturing 1t reactive MgO consumes 2.08 t MgCO3... ; Kitazume and Terash, 2013; Terashi, 2003; Terashi and Kitazume, 2011); however, there are significant environmental impacts associated with Portland cement (PC) production, such as high CO2 emissions (0.95t CO2/t PC), energy consumption (5000 MJ/t PC...

  15. Investigating fusion plasma instabilities in the Mega Amp Spherical Tokamak using mega electron volt proton emissions (invited)

    SciTech Connect (OSTI)

    Perez, R. V., E-mail: rvale006@fiu.edu; Boeglin, W. U.; Angulo, A.; Avila, P.; Leon, O.; Lopez, C. [Department of Physics, Florida International University, 11200 SW 8 ST, CP204, Miami, Florida 33199 (United States); Darrow, D. S. [Princeton Plasma Physics Laboratory, James Forrestal Campus, P.O. Box 451, Princeton, New Jersey 08543 (United States); Cecconello, M.; Klimek, I. [Department of Physics and Astronomy, Uppsala University, Uppsala SE-751 20 (Sweden); Allan, S. Y.; Akers, R. J.; Keeling, D. L.; McClements, K. G.; Scannell, R.; Conway, N. J. [CCFE, Culham Science Centre, Abingdon, Oxfordshire OX14 3DB (United Kingdom); Turnyanskiy, M. [ITER Physics Department, EFDA CSU Garching, Boltzmannstrasse 2, D-85748, Garching (Germany); Jones, O. M. [CCFE, Culham Science Centre, Abingdon, Oxfordshire OX14 3DB (United Kingdom); Department of Physics, Durham University, Durham DH1 3LE (United Kingdom); Michael, C. A. [Australian National University, Canberra ACT 0200 (Australia)

    2014-11-15

    The proton detector (PD) measures 3 MeV proton yield distributions from deuterium-deuterium fusion reactions within the Mega Amp Spherical Tokamak (MAST). The PD’s compact four-channel system of collimated and individually oriented silicon detectors probes different regions of the plasma, detecting protons (with gyro radii large enough to be unconfined) leaving the plasma on curved trajectories during neutral beam injection. From first PD data obtained during plasma operation in 2013, proton production rates (up to several hundred kHz and 1 ms time resolution) during sawtooth events were compared to the corresponding MAST neutron camera data. Fitted proton emission profiles in the poloidal plane demonstrate the capabilities of this new system.

  16. Potential for reactive pulsed-dc magnetron sputtering of nanocomposite VO{sub x} microbolometer thin films

    SciTech Connect (OSTI)

    Jin, Yao O., E-mail: yoj5055@psu.edu; Ozcelik, Adem; Horn, Mark W. [Department of Engineering Science and Mechanics, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Jackson, Thomas N. [Department of Electrical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

    2014-11-01

    Vanadium oxide (VO{sub x}) thin films were deposited by reactive pulsed-dc sputtering a metallic vanadium target in argon/oxygen mixtures with substrate bias. Hysteretic oxidation of the vanadium target surface was assessed by measuring the average cathode current during deposition. Nonuniform oxidization of the target surface was analyzed by Raman spectroscopy. The VO{sub x} film deposition rate, resistivity, and temperature coefficient of resistance were correlated to oxygen to argon ratio, processing pressure, target-to-substrate distance, and oxygen inlet positions. To deposit VO{sub x} in the resistivity range of 0.1–10 ?-cm with good uniformity and process control, lower processing pressure, larger target-to-substrate distance, and oxygen inlet near the substrate are useful.

  17. Development of EEM based silicon–water and silica–water wall potentials for non-reactive molecular dynamics simulations

    SciTech Connect (OSTI)

    Kim, Junghan; Iype, Eldhose; Frijns, Arjan J.H.; Nedea, Silvia V.; Steenhoven, Anton A. van

    2014-07-01

    Molecular dynamics simulations of heat transfer in gases are computationally expensive when the wall molecules are explicitly modeled. To save computational time, an implicit boundary function is often used. Steele's potential has been used in studies of fluid–solid interface for a long time. In this work, the conceptual idea of Steele's potential was extended in order to simulate water–silicon and water–silica interfaces. A new wall potential model is developed by using the electronegativity-equalization method (EEM), a ReaxFF empirical force field and a non-reactive molecular dynamics package PumMa. Contact angle simulations were performed in order to validate the wall potential model. Contact angle simulations with the resulting tabulated wall potentials gave a silicon–water contact angle of 129°, a quartz–water contact angle of 0°, and a cristobalite–water contact angle of 40°, which are in reasonable agreement with experimental values.

  18. Final Project Report: Release of aged contaminants from weathered sediments: Effects of sorbate speciation on scaling of reactive transport

    SciTech Connect (OSTI)

    Jon Chorover, University of Arizona; Peggy O'Ã?Â?Ã?Â?Day, University of California, Merced; Karl Mueller, Penn State University; Wooyong Um, Pacific Northwest National Laboratory; Carl Steefel, Lawrence Berkeley National Laboratory

    2012-10-01

    Hanford sediments impacted by hyperalkaline high level radioactive waste have undergone incongruent silicate mineral weathering concurrent with contaminant uptake. In this project, we studied the impact of background pore water (BPW) on strontium, cesium and iodine desorption and transport in Hanford sediments that were experimentally weathered by contact with simulated hyperalkaline tank waste leachate (STWL) solutions. Using those lab-weathered Hanford sediments (HS) and model precipitates formed during nucleation from homogeneous STWL solutions (HN), we (i) provided detailed characterization of reaction products over a matrix of field-relevant gradients in contaminant concentration, PCO2, and reaction time; (ii) improved molecular-scale understanding of how sorbate speciation controls contaminant desorption from weathered sediments upon removal of caustic sources; and (iii) developed a mechanistic, predictive model of meso- to field-scale contaminant reactive transport under these conditions.

  19. Unusual Low Temperature Reactivity of Water. The CH + H2O Reaction as a Source of Interstellar Formaldehyde?

    E-Print Network [OSTI]

    Hickson, Kevin; Caubet, Philippe

    2013-01-01

    Water is an important reservoir species for oxygen in interstellar space and plays a key role in the physics of star formation through cooling by far-infrared emission. Whilst water vapour is present at high abundances in the outflows of protostars, its contribution to the chemical evolution of these regions is a minor one due to its limited low temperature reactivity in the gas-phase. Here, we performed kinetic experiments on the barrierless CH + H2O reaction in a supersonic flow reactor down to 50 K. The measured rate increases rapidly below room temperature, confirming and extending the predictions of earlier statistical calculations. The open product channels for this reaction suggest that this process could be an important gas-phase route for formaldehyde formation in protostellar envelopes.

  20. Boron-carbide-aluminum and boron-carbide-reactive metal cermets. [B/sub 4/C-Al

    DOE Patents [OSTI]

    Halverson, D.C.; Pyzik, A.J.; Aksay, I.A.

    1985-05-06

    Hard, tough, lighweight boron-carbide-reactive metal composites, particularly boron-carbide-aluminum composites, are produced. These composites have compositions with a plurality of phases. A method is provided, including the steps of wetting and reacting the starting materials, by which the microstructures in the resulting composites can be controllably selected. Starting compositions, reaction temperatures, reaction times, and reaction atmospheres are parameters for controlling the process and resulting compositions. The ceramic phases are homogeneously distributed in the metal phases and adhesive forces at ceramic-metal interfaces are maximized. An initial consolidated step is used to achieve fully dense composites. Microstructures of boron-carbide-aluminum cermets have been produced with modules of rupture exceeding 110 ksi and fracture toughness exceeding 12 ksi..sqrt..in. These composites and methods can be used to form a variety of structural elements.

  1. Reactive transport modeling of stable carbon isotope fractionation in a multi-phase multi-component system during carbon sequestration

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, Shuo; DePaolo, Donald J.; Zheng, Liange; Mayer, Bernhard

    2014-12-31

    Carbon stable isotopes can be used in characterization and monitoring of CO2 sequestration sites to track the migration of the CO2 plume and identify leakage sources, and to evaluate the chemical reactions that take place in the CO2-water-rock system. However, there are few tools available to incorporate stable isotope information into flow and transport codes used for CO2 sequestration problems. We present a numerical tool for modeling the transport of stable carbon isotopes in multiphase reactive systems relevant to geologic carbon sequestration. The code is an extension of the reactive transport code TOUGHREACT. The transport module of TOUGHREACT was modifiedmore »to include separate isotopic species of CO2 gas and dissolved inorganic carbon (CO2, CO32-, HCO3-,…). Any process of transport or reaction influencing a given carbon species also influences its isotopic ratio. Isotopic fractionation is thus fully integrated within the dynamic system. The chemical module and database have been expanded to include isotopic exchange and fractionation between the carbon species in both gas and aqueous phases. The performance of the code is verified by modeling ideal systems and comparing with theoretical results. Efforts are also made to fit field data from the Pembina CO2 injection project in Canada. We show that the exchange of carbon isotopes between dissolved and gaseous carbon species combined with fluid flow and transport, produce isotopic effects that are significantly different from simple two-component mixing. These effects are important for understanding the isotopic variations observed in field demonstrations.« less

  2. Enteral Feeding During Chemoradiotherapy for Advanced Head-and-Neck Cancer: A Single-Institution Experience Using a Reactive Approach

    SciTech Connect (OSTI)

    Clavel, Sebastien, E-mail: sebastien.clavel@umontreal.c [Department of Radiation Oncology, Centre hospitalier de l'Universite de Montreal, Montreal, QC (Canada); Fortin, Bernard; Despres, Philippe; Donath, David [Department of Radiation Oncology, Centre hospitalier de l'Universite de Montreal, Montreal, QC (Canada); Soulieres, Denis [Department of Medical Oncology, Centre hospitalier de l'Universite de Montreal, Montreal, QC (Canada); Khaouam, Nader [Department of Radiation Oncology, Hopital Maisonneuve-Rosemont, Montreal, QC (Canada); Charpentier, Danielle [Department of Medical Oncology, Centre hospitalier de l'Universite de Montreal, Montreal, QC (Canada); Belair, Manon [Department of Radiology, Centre hospitalier de l'Universite de Montreal, Montreal, QC (Canada); Guertin, Louis [Department of Head and Neck Surgery, Centre hospitalier de l'Universite de Montreal, Montreal, QC (Canada); Nguyen-Tan, Phuc Felix [Department of Radiation Oncology, Centre hospitalier de l'Universite de Montreal, Montreal, QC (Canada)

    2011-03-01

    Purpose: The optimal method for providing enteral nutrition to patients with head-and-neck cancer is unclear. The purpose of the present study was to evaluate the safety and efficacy of our reactive policy, which consists of the installation of a nasogastric (NG) feeding tube only when required by the patient's nutritional status. Methods and Materials: The records of all patients with Stage III and IV head-and-neck cancer treated with concomitant chemotherapy and radiotherapy between January 2003 and December 2006 were reviewed. The overall and disease-free survival rates were estimated using the Kaplan-Meier method and compared with the log-rank test. Results: The present study included 253 patients, and the median follow-up was 33 months. At 3 years, the estimated overall survival and disease-free survival rate was 82.8% and 77.8%, respectively, for the whole population. No survival difference was observed when the patients were compared according to the presence and absence of a NG tube or stratified by weight loss quartile. The mean weight loss during treatment for all patients was 10.4%. The proportion of patients requiring a NG tube was 49.8%, and the NG tube remained in place for a median duration of 40 days. No major complications were associated with NG tube installation. Only 3% of the patients were still dependent on enteral feeding at 6 months. Conclusion: These results suggest that the use of a reactive NG tube with an interdisciplinary team approach is a safe and effective method to manage malnutrition in patients treated with concomitant chemotherapy and radiotherapy for head-and-neck cancer.

  3. Reactive transport modeling of stable carbon isotope fractionation in a multi-phase multi-component system during carbon sequestration

    SciTech Connect (OSTI)

    Zhang, Shuo [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); DePaolo, Donald J. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Zheng, Liange [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Mayer, Bernhard [Univ. of Calgary (Canada). Dept. of Geosciences

    2014-12-31

    Carbon stable isotopes can be used in characterization and monitoring of CO2 sequestration sites to track the migration of the CO2 plume and identify leakage sources, and to evaluate the chemical reactions that take place in the CO2-water-rock system. However, there are few tools available to incorporate stable isotope information into flow and transport codes used for CO2 sequestration problems. We present a numerical tool for modeling the transport of stable carbon isotopes in multiphase reactive systems relevant to geologic carbon sequestration. The code is an extension of the reactive transport code TOUGHREACT. The transport module of TOUGHREACT was modified to include separate isotopic species of CO2 gas and dissolved inorganic carbon (CO2, CO32-, HCO3-,…). Any process of transport or reaction influencing a given carbon species also influences its isotopic ratio. Isotopic fractionation is thus fully integrated within the dynamic system. The chemical module and database have been expanded to include isotopic exchange and fractionation between the carbon species in both gas and aqueous phases. The performance of the code is verified by modeling ideal systems and comparing with theoretical results. Efforts are also made to fit field data from the Pembina CO2 injection project in Canada. We show that the exchange of carbon isotopes between dissolved and gaseous carbon species combined with fluid flow and transport, produce isotopic effects that are significantly different from simple two-component mixing. These effects are important for understanding the isotopic variations observed in field demonstrations.

  4. Abstract--The U.S. power industry is under great pressure to provide reactive power or Var support. Although it is generally

    E-Print Network [OSTI]

    Tolbert, Leon M.

    (SVCs), STATCOMs, as well as distributed energy resources (DERs) like fuel cells and microturbines a decade ago. There has been significant movement towards competitive energy markets. However, reactive]. The Department of Energy has sponsored the Oak Ridge National Laboratory to investigate the economic benefits

  5. The Plant Cell, Vol. 6, 1415-1426, October 1994 O 1994 American Society of Plant Physiologists Rhizobium Nod Factors Reactivate the Cell Cycle during

    E-Print Network [OSTI]

    Hirt, Heribert

    Rhizobium Nod Factors Reactivate the Cell Cycle during Infection and Nodule Primordium Formation that the susceptibility of these inner cortical cells to Rhizo- bium nodulation(Nod) factors is conferredby an arrest inoculation with Rhizobium or purified Nod factors, we show that the susceptibility of inner cortical cells

  6. ReaxFFMgH Reactive Force Field for Magnesium Hydride Systems Sam Cheung, Wei-Qiao Deng, Adri C. T. van Duin, and William A. Goddard III*

    E-Print Network [OSTI]

    van Duin, Adri

    ReaxFFMgH Reactive Force Field for Magnesium Hydride Systems Sam Cheung, Wei-Qiao Deng, Adri C. T and Chemical Engineering, California Institute of Technology, Pasadena, California 91125 ReceiVed: September 3FFMgH) for magnesium and magnesium hydride systems. The parameters for this force field were derived from fitting

  7. ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Kimberly Chenoweth, Adri C. T. van Duin, and William A. Goddard, III*

    E-Print Network [OSTI]

    Goddard III, William A.

    MoOx heterogeneous cata- lysts,22 fuel cells,23 crack propagation in silicon crystals,24 dissociation of H2 on Pt additional transition states and chemical reactivity of systems relevant to these reactions and optimizedFF potential obtained after parameter optimization, we performed a range of NVT-MD simulations on various

  8. Development of the ReaxFF reactive force field for mechanistic studies of catalytic selective oxidation processes on BiMoOx

    E-Print Network [OSTI]

    van Duin, Adri

    our mechanistic understanding of catalytic hydrocarbon oxidation sufficiently to suggest modificationsDevelopment of the ReaxFF reactive force field for mechanistic studies of catalytic selective oxidation processes on BiMoOx William A. Goddard III*, Adri van Duin, Kimberly Chenoweth, Mu-Jeng Cheng

  9. Evolution of Structure-Reactivity Correlations for the Hydrogen Abstraction Reaction by Hydroxyl Radical and Comparison with that by Chlorine Atom

    SciTech Connect (OSTI)

    Poutsma, Marvin L

    2013-01-01

    A structure-reactivity correlation for the reaction (HO + HCR3 HOH + CR3 ) has been formulated: log k298(per H) = 0.000630 rH2 0.151 rH 1.056 F 1.053 R 21.26 (r2 = 0.885; n = 70; mean unsigned deviation = 0.29 log units), where rH is the reaction enthalpy and F and R represent the dissection of Hammett s para constant into its field/inductive and resonance effects, and compared for the analogous case for Cl (ref 1). Although more exothermic, the dependence of HO on rH is somewhat greater than Cl . However the dependence on F and R is much less, suggestive of less charge separation in the transition state for the less electronegative HO . The range of k(OH) is significantly less than that of Cl , i.e., it is less dependent on substrate structure. Yet a cross-over exists such that k(Cl) > k(HO) predominates for more reactive cases whereas k(Cl) < k(OH) characterizes the less reactive. The Arrhenius parameters reveal that this cross-over results from a change in {E(Cl) E(OH)} from negative to positive. In contrast, whereas the A factors for both increase significantly as reactivity increases, {A(Cl) / A(OH)} always exceeds unity.

  10. ReaxFF Reactive Force Field for Solid Oxide Fuel Cell Systems with Application to Oxygen Ion Transport in Yttria-Stabilized Zirconia

    E-Print Network [OSTI]

    Goddard III, William A.

    ReaxFF Reactive Force Field for Solid Oxide Fuel Cell Systems with Application to Oxygen Ion through yttria-stabilized zirconia (YSZ) solid oxide fuel cell (SOFC) membranes. All parameters for Reax and cluster systems. We validated the use of ReaxFF for fuel cell applications by using it in molecular

  11. Groundwater Reactive Transport Models, 2012, 141-159 141 Fan Zhang, Gour-Tsyh (George) Yeh, Jack C. Parker and Xiaonan Shi (Eds)

    E-Print Network [OSTI]

    Mills, Richard

    Groundwater Reactive Transport Models, 2012, 141-159 141 Fan Zhang, Gour-Tsyh (George) Yeh, Jack C--simulating groundwater flow and solute transport, with basic chemical reactions such as aqueous complexing, mineral systems [1]. Although these simplified groundwater models are still in wide use, advances in subsurface

  12. I. synthesis, reactivity, structure and application of spiroepoxy-b-lactones: studies toward (-)-maculalactone a ii. metal mediated couplings of dichloroolefins applicable to the haterumalides 

    E-Print Network [OSTI]

    Duffy, Richard Jeffrey

    2009-05-15

    the varied reactivity of spiroepoxy-b-lactones, and it was apparent that they might be applied to the synthesis of maculalactone A. Also with the aim of the total synthesis of the haterumalides, a palladium catalyzed cross coupling was developed...

  13. ReaxFF: A Reactive Force Field for Hydrocarbons Adri C. T. van Duin,,| Siddharth Dasgupta, Francois Lorant, and William A. Goddard III*,

    E-Print Network [OSTI]

    Zhigilei, Leonid V.

    ReaxFF: A Reactive Force Field for Hydrocarbons Adri C. T. van Duin,,| Siddharth Dasgupta, Francois constant as Rij f 0. We report here the ReaxFF for hydrocarbons. The parameters were derived from quantum and geometry data for a number of stable hydrocarbon compounds. We find that the ReaxFF provides a good

  14. Mechanisms for plasma and reactive ion etch-front roughening Jason T. Drotar, Y.-P. Zhao, T.-M. Lu, and G.-C. Wang

    E-Print Network [OSTI]

    Wang, Gwo-Ching

    width w induced by SF6 plasma etching of silicon surfaces increases linearly with etch time (w t1Mechanisms for plasma and reactive ion etch-front roughening Jason T. Drotar, Y.-P. Zhao, T.-M. Lu, Troy, New York 12180-3590 Received 14 April 1999; revised manuscript received 1 September 1999 Through

  15. Reactivity monitoring using the area method for the subcritic al VENUS-F core within the framework of the FREYA Project

    E-Print Network [OSTI]

    N. Marie; G. Lehaut; J. L. Lecouey; A. Billebaud; S. Chabod; X. Doligez; F. R. Lecolley; A. Kochetkov; W. Uyttenhove; G. Vittiglio; J. Wagemans; F. Mellier; G. Ban; H. E. Thyébault; D. Villamarin

    2013-06-05

    Accelerator-Driven Systems (ADS) could be employed to incinerate minor actinides and so partly contribute to answer the problem of nuclear waste management. An ADS consists of the coupling of a subcritical fast reactor to a particle accelerator via a heavy material spallation target. The on-line reactivity monitoring of such an ADS is a serious issue regarding its safety. In order to study the methodology of this monitoring, zero-power experimentswere undertaken at the GUINEVERE facility within the framework of the FP6-IP-EUROTRANS programme. Such experiments have been under completion within the FREYA FP7 project. The GUINEVERE facility is hosted at the SCK-CEN site in Mol (Belgium). It couples the VENUS-F subcritical fast core with the GENEPI-3C accelerator. The latter delivers a beam of deuterons, which are converted into 14-MeV neutrons via fusion reactions on a tritiated target. This paper presents one of the investigated methods for ADS on-line reactivity monitoring which has to be validated in the program of the FREYA project. It describes the results obtained when Pulsed Neutron Source experiments are analysed using the so called Area Method, in order to estimate the reactivity of a few sub-critical configurations of the VENUS-F reactor, around keff= 0.96. First the GUINEVERE facility is described. Then, following general considerations on the Area method, the results of its application to the neutron population time decrease spectra measured after a pulse by several fission chambers spread out over the whole reactor are discussed. Finally the reactivity values extracted are compared to the static reactivity values obtained using the Modified Source Multiplication (MSM) method.

  16. Expression of Autoactivated Stromelysin-1 in Mammary Glands of Transgenic Mice Leads to a Reactive Stroma During Early Development

    SciTech Connect (OSTI)

    Thomasset, N.; Lochter, A.; Sympson, C.J.; Lund, L.R.; Williams, D.R.; Behrendtsen, O.; Werb, Z.; Bissell, M.J.

    1998-04-24

    Extracellular matrix and extracellular matrix-degrading matrix metalloproteinases play a key role in interactions between the epithelium and the mesenchyme during mammary gland development and disease. In patients with breast cancer, the mammary mesenchyme undergoes a stromal reaction, the etiology of which is unknown. We previously showed that targeting of an autoactivating mutant of the matrix metalloproteinase stromelysin-1 to mammary epithelia of transgenic mice resulted in reduced mammary function during pregnancy and development of preneoplastic and neoplastic lesions. Here we examine the cascade of alterations before breast tumor formation in the mammary gland stroma once the expression of the stromelysin-1 transgene commences. Beginning in postpubertal virgin animals, low levels of transgene expression in mammary epithelia led to increased expression of endogenous stromelysin-1 in stromal fibroblasts and up-regulation of other matrix metalloproteinases, without basement membrane disruption. These changes were accompanied by the progressive development of a compensatory reactive stroma, characterized by increased collagen content and vascularization in glands from virgin mice. This remodeling of the gland affected epithelial-mesenchymal communication as indicated by inappropriate expression of tenascin-C starting by day 6 of pregnancy. This, together with increased transgene expression, led to basement membrane disruption starting by day 15 of pregnancy. We propose that the highly reactive stroma provides a prelude to breast epithelial tumors observed in these animals. Epithelial development depends on an exquisite series of inductive and instructive interactions between the differentiating epithelium and the mesenchymal (stromal) compartment. The epithelium, which consists of luminal and myoepithelial cells, is separated from the stroma by a basement membrane (BM), which plays a central role in mammary gland homeostasis and gene expression. In vivo, stromal cells produce fibronectin, collagens, proteoglycans, and some components of the BM, as well as a number of proteinases that can effectively degrade BM constituents. Stromal and epithelial cells of the mammary gland interact to regulate BM synthesis and degradation and, thus, mammary function. Matrix metalloproteinases (MMPs) are extracellular matrix (ECM)-degrading enzymes involved in mammary gland morphogenesis and involution. During late pregnancy and lactation, when the gland becomes fully functional, the expression of MMPs is low however, during involution, when the gland loses function and is remodeled, synthesis of ECM-degrading proteinases increases dramatically.11 Disturbance of the balance between MMPs and MMP inhibitors leads to either unscheduled involution or prolonged lactation. Mammary glands of virgin mice expressing an autoactivating stromelysin-1 (SL-1) transgene display supernumerary branches and precocious alveolar development, accompanied by the synthesis of {beta}-casein at levels found normally only during early pregnancy. During late pregnancy, increased expression of the SL-1 transgene leads to a reduction in expression of pregnancy-specific genes. Later in life, some SL-1 transgenic mice develop hyperplastic, dysplastic, and ductal carcinoma in situ-like lesions, as well as malignant tumors. Little is known about the sequence of changes that occurs before formation of an overt reactive stroma in breast cancer. In the present study, we address the question of whether and how the stromal compartment is altered as a consequence of inappropriate SL-1 transgene expression in the epithelium.

  17. Electron Transfer Reactivity Patterns at Chemically Modified Electrodes: Fundamentals and Application to the Optimization of Redox Recycling Amplification Systems

    SciTech Connect (OSTI)

    Adam Johan Bergren

    2006-05-01

    Electroanalytical chemistry is often utilized in chemical analysis and Fundamental studies. Important advances have been made in these areas since the advent of chemically modified electrodes: the coating of an electrode with a chemical film in order to impart desirable, and ideally, predictable properties. These procedures enable the exploitation of unique reactivity patterns. This dissertation presents studies that investigate novel reaction mechanisms at self-assembled monolayers on gold. In particular, a unique electrochemical current amplification scheme is detailed that relies on a selective electrode to enable a reactivity pattern that results in regeneration of the analyte (redox recycling). This regenerating reaction can occur up to 250 times for each analyte molecule, leading to a notable enhancement in the observed current. The requirements of electrode selectivity and the resulting amplification and detection limit improvements are described with respect to the heterogeneous and homogeneous electron transfer rates that characterize the system. These studies revealed that the heterogeneous electrolysis of the analyte should ideally be electrochemically reversible, while that for the regenerating agent should be held to a low level. Moreover, the homogeneous reaction that recycles the analyte should occur at a rapid rate. The physical selectivity mechanism is also detailed with respect to the properties of the electrode and redox probes utilized. It is shown that partitioning of the analyte into/onto the adlayer leads to the extraordinary selectivity of the alkanethiolate monolayer modified electrode. Collectively, these studies enable a thorough understanding of the complex electrode mechanism required for successful redox recycling amplification systems, Finally, in a separate (but related) study, the effect of the akyl chain length on the heterogeneous electron transfer behavior of solution-based redox probes is reported, where an odd-even oscillation (with respect to the number of methylene units in the alkyl chain) was observed. Characterization of the adlayers by infrared reflection spectroscopy, ellipsometry, and wetting revealed odd-even effects in the orientation of the terminal methyl group and hydrophobic character of the adlayers. Using these structural characterizations as a basis, several possible mechanisms that can account for the odd-even effect in the heterogeneous electron transfer rates of solution-based redox couples are discussed.

  18. Reactive oxygen species on bone mineral density and mechanics in Cu,Zn superoxide dismutase (Sod1) knockout mice

    SciTech Connect (OSTI)

    Smietana, Michael J. [Biomedical Engineering, University of Michigan, 2025 BSRB, 109 Zina Pitcher Place, Ann Arbor, MI 48109-2200 (United States)] [Biomedical Engineering, University of Michigan, 2025 BSRB, 109 Zina Pitcher Place, Ann Arbor, MI 48109-2200 (United States); Arruda, Ellen M. [Biomedical Engineering, University of Michigan, 2025 BSRB, 109 Zina Pitcher Place, Ann Arbor, MI 48109-2200 (United States) [Biomedical Engineering, University of Michigan, 2025 BSRB, 109 Zina Pitcher Place, Ann Arbor, MI 48109-2200 (United States); Mechanical Engineering, University of Michigan, 2250 GG Brown, 2350 Hayward, Ann Arbor, MI 48109 (United States); Program in Macromolecular Science and Engineering, University of Michigan, 2250 GG Brown, 2350 Hayward, Ann Arbor, MI 48109 (United States); Faulkner, John A.; Brooks, Susan V. [Biomedical Engineering, University of Michigan, 2025 BSRB, 109 Zina Pitcher Place, Ann Arbor, MI 48109-2200 (United States) [Biomedical Engineering, University of Michigan, 2025 BSRB, 109 Zina Pitcher Place, Ann Arbor, MI 48109-2200 (United States); Molecular and Integrative Physiology, University of Michigan, 2025 BSRB, 109 Zina Pitcher Place, Ann Arbor, MI 48109-2200 (United States); Larkin, Lisa M., E-mail: llarkin@umich.edu [Biomedical Engineering, University of Michigan, 2025 BSRB, 109 Zina Pitcher Place, Ann Arbor, MI 48109-2200 (United States); Molecular and Integrative Physiology, University of Michigan, 2025 BSRB, 109 Zina Pitcher Place, Ann Arbor, MI 48109-2200 (United States)

    2010-12-03

    Research highlights: {yields} Reactive oxygen species (ROS) are considered to be a factor in the onset of a number of age-associated conditions, including loss of BMD. {yields} Cu,Zn-superoxide dismutase (Sod1) deficient mice have increased ROS, reduced bone mineral density, decreased bending stiffness, and decreased strength compared to WT controls. {yields} Increased ROS caused by the deficiency of Sod1, may be responsible for the changes in BMD and bone mechanics and therefore represent an appropriate model for studying mechanisms of age-associated bone loss. -- Abstract: Reactive oxygen species (ROS) play a role in a number of degenerative conditions including osteoporosis. Mice deficient in Cu,Zn-superoxide dismutase (Sod1) (Sod1{sup -/-} mice) have elevated oxidative stress and decreased muscle mass and strength compared to wild-type mice (WT) and appear to have an accelerated muscular aging phenotype. Thus, Sod1{sup -/-} mice may be a good model for evaluating the effects of free radical generation on diseases associated with aging. In this experiment, we tested the hypothesis that the structural integrity of bone as measured by bending stiffness (EI; N/mm{sup 2}) and strength (MPa) is diminished in Sod1{sup -/-} compared to WT mice. Femurs were obtained from male and female WT and Sod1{sup -/-} mice at 8 months of age and three-point bending tests were used to determine bending stiffness and strength. Bones were also analyzed for bone mineral density (BMD; mg/cc) using micro-computed tomography. Femurs were approximately equal in length across all groups, and there were no significant differences in BMD or EI with respect to gender in either genotype. Although male and female mice demonstrated similar properties within each genotype, Sod1{sup -/-} mice exhibited lower BMD and EI of femurs from both males and females compared with gender matched WT mice. Strength of femurs was also lower in Sod1{sup -/-} mice compared to WT as well as between genders. These data indicate that increased oxidative stress, due to the deficiency of Sod1 is associated with decreased bone stiffness and strength and Sod1{sup -/-} mice may represent an appropriate model for studying disease processes in aging bone.

  19. Towards a specific reaction parameter density functional for reactive scattering of H{sub 2} from Pd(111)

    SciTech Connect (OSTI)

    Boereboom, J. M.; Wijzenbroek, M.; Somers, M. F.; Kroes, G. J.

    2013-12-28

    Recently, an implementation of the specific reaction parameter (SRP) approach to density functional theory (DFT) was used to study several reactive scattering experiments of H{sub 2} on Cu(111). It was possible to obtain chemical accuracy (1 kcal/mol ? 4.2 kJ/mol), and therefore, accurately model this paradigmatic example of activated H{sub 2} dissociation on a metal surface. In this work, the SRP-DFT methodology is applied to the dissociation of hydrogen on a Pd(111) surface, in order to test whether the SRP-DFT approach is also applicable to non-activated H{sub 2}-metal systems. In the calculations, the Born–Oppenheimer static surface approximations are used. A comparison to molecular beam sticking experiments, performed at incidence energies ?125 meV, on H{sub 2} + Pd(111) suggested the PBE-vdW [where the Perdew, Burke, and Ernzerhof (PBE) correlation is replaced by van der Waals correlation] functional as a candidate SRP density functional describing the reactive scattering of H{sub 2} on Pd(111). Unfortunately, quantum dynamics calculations are not able to reproduce the molecular beam sticking results for incidence energies <125 meV. From a comparison to initial state-resolved (degeneracy averaged) sticking probabilities it seems clear that for H{sub 2} + Pd(111) dynamic trapping and steering effects are important, and that these effects are not yet well modeled with the potential energy surfaces considered here. Applying the SRP-DFT method to systems where H{sub 2} dissociation is non-activated remains difficult. It is suggested that a density functional that yields a broader barrier distribution and has more non-activated pathways than PBE-vdW (i.e., non-activated dissociation at some sites but similarly high barriers at the high energy end of the spectrum) should allow a more accurate description of the available experiments. Finally, it is suggested that new and better characterized molecular beam sticking experiments be done on H{sub 2} + Pd(111), to facilitate the development of a more accurate theoretical description of this system.

  20. Processing Plan for Potentially Reactive/Ignitable Remote Handled Transuranic Waste at the Idaho Cleanup Project - 12090

    SciTech Connect (OSTI)

    Troescher, Patrick D.; Hobbes, Tammy L.; Anderson, Scott A.

    2012-07-01

    Remote Handle Transuranic (RH-TRU) Waste generated at Argonne National Laboratory - East, from the examination of irradiated and un-irradiated fuel pins and other reactor materials requires a detailed processing plan to ensure reactive/ignitable material is absent to meet WIPP Waste Acceptance Criteria prior to shipping and disposal. The Idaho Cleanup Project (ICP) approach to repackaging Lot 2 waste and how we ensure prohibited materials are not present in waste intended for disposal at Waste Isolation Pilot Plant 'WIPP' uses an Argon Repackaging Station (ARS), which provides an inert gas blanket. Opening of the Lot 2 containers under an argon gas blanket is proposed to be completed in the ARS. The ARS is an interim transition repackaging station that provides a mitigation technique to reduce the chances of a reoccurrence of a thermal event prior to rendering the waste 'Safe'. The consequences, should another thermal event be encountered, (which is likely) is to package the waste, apply the reactive and or ignitable codes to the container, and store until the future treatment permit and process are available. This is the same disposition that the two earlier containers in the 'Thermal Events' were assigned. By performing the initial handling under an inert gas blanket, the waste can sorted and segregate the fines and add the Met-L-X to minimize risk before it is exposed to air. The 1-gal cans that are inside the ANL-E canister will be removed and each can is moved to the ARS for repackaging. In the ARS, the 1-gal can is opened in the inerted environment. The contained waste is sorted, weighed, and visually examined for non compliant items such as unvented aerosol cans and liquids. The contents of the paint cans are transferred into a sieve and manipulated to allow the fines, if any, to be separated into the tray below. The fines are weighed and then blended with a minimum 5:1 mix of Met-L-X. Other debris materials found are segregated from the cans into containers for later packaging. Recoverable fissile waste material (Fuel and fuel-like pieces) suspected of containing sodium bonded pieces) are segregated and will remain in the sieve or transferred to a similar immersion basket in the ARS. The fuel like pieces will be placed into a container with sufficient water to cover the recoverable fissile waste. If a 'reactive characteristic' is present the operator will be able to observe the formation of 'violent' hydrogen gas bubbles. When sodium bonded fuel-like pieces are placed in water the expected reaction is a non-violent reaction that does not meet the definition of reactivity. It is expected that there will be a visible small stream of bubbles present if there is any sodium-bonded fuel-like piece placed in the water. The test will be completed when there is no reaction or the expected reaction is observed..At that point, the fuel like pieces complete the processing cycle in preparation for characterization and shipment to WIPP. If a violent reaction occurs, the fuel-like pieces will be removed from the water, split into the required fissile material content, placed into a screened basket in a 1 gallon drum and drummed out of the hot cell with appropriate RCRA codes applied and placed into storage until sodium treatment is available. These 'violent' reactions will be evidenced by gas bubbles being evolved at the specimen surface where sodium metal is present. The operators will be trained to determine if the reaction is 'violent' or 'mild'. If a 'violent' reaction occurs, the sieve will be immediately removed from the water, placed in a 1 gallon paint can, canned in the argon cover gas and removed from the hot cell to await a future treatment. If the reaction is 'mild', the sieve will then be removed from the water; the material weighed for final packaging and allowed to dry by air exposure. Lot 2 waste cans can be opened, sorted, processed, and weighed while mitigating the potential of thermal events that could occur prior to exposing to air. Exposure to air is a WIPP compliance step demonstrating the absence of react